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At least 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
NASA NTRS2020

Building a standardized Observing System Simulation Experiment (OSSE) framework for Mars

We advocate that the Decadal Survey recommends the NASA Science Mission Directorate to develop a rigorous Observing System Simulation Experiment (OSSE) framework for Mars, to optimize future atmospheric observations. Atmospheric conditions on Mars are a potential hazard source for landing missions. Errors in the estimates of atmospheric density profiles, inadequate knowledge of wind vertical structure and dust concentration as a function of height are likely causes of uncertainty at the landing site on the order of kilometers. An operational real-time weather forecasting capability for Mars would reduce such uncertainties, carrying enormous benefits to future robotic missions, and would be an invaluable prerequisite for human missions.A real-time forecasting capability relies upon three fundamental components: a critical mass of observing systems, a data assimilation system (DAS), and a global forecast model. The DAS allows the model to ingest the data effectively, optimizing the observational information content,and transforming them into a gridded representation of the atmosphere at a given time, called an ‘analysis’. The analysis is the best estimate of the atmospheric state for that time, and also represents a set of ‘initial conditions’ from which a global model can be initialized, to predict a future state of the atmosphere. The connection between analysis and forecast represents the foundation of modern weather forecasting. However, from the point of view of a forecast system,not all observations are equally impactful, partially because of the problem of “observational error correlation”, one important research topic in data assimilation development. For the Earth, partly due to the spontaneous and deregulated development of observations and forecast capabilities worldwide for more than half a century,the use of observations in contemporary operational forecast systems is suboptimal, with many potentially useful data being underutilized. On the contrary, Mars atmospheric scientists are in the unique situation of designing the next-generation observing systems by learning from the experience gathered on the Earth, so as to assure that the future instruments are specifically optimized to give the maximum benefit to a future weather forecast capability.An immensely powerful tool that has been firmly established by atmospheric scientists on the Earth is represented by a properly designed OSSE framework. A realistic OSSE framework cannot only quantify the benefit of future data types, be them surface based or space borne, but can also help design and optimize an entire observational network. Furthermore, OSSEs can provide deep insights into an atmosphere’s behavior, by addressing conceptual problems of its intrinsic predictability and delineating the regions or features of the atmosphere which are more sensitive to additional data and would benefit from a denser sampling. The difficulties posed by OSSEs are fundamentally different for Earth and Mars. For Earth, the enormous data volume imposes a tremendous constraint on any innovation in the observing systems: it is very hard for a single sensor to impact the skill. For Mars, the problem is the opposite: almost any additional instrument will exert some impact. However, OSSEs can help to evaluate the cost/benefit for every sensor and suggest optimal data configuration and density.The purpose of this white paper is to provide an introduction to a rigorously designed OSSE framework, explain the underlying problems and challenges, and engage the Mars community to collaborate with Earth Atmospheric scientists in order to develop a joint-OSSE framework for Mars with the largest consensual basis possible. An OSSE infrastructure would increase the understanding of the Martian atmosphere, would help NASA to optimize instrument specifications and orbit choice, providing the maximium benefit for a given expenditure of resources, and could even help establishing a roadmap for a future real-time weather forecasting capability.

Oreste Reale↗
DOE OSTI2026

Accelerating Traction Motor Optimization Design with AI Surrogate Models

The advancement of artificial intelligence systems enables the use of data-driven physics-based surrogate models to explore design spaces rapidly and deeply for engineering projects. This work presents a surrogate model workflow that accelerates electric traction motor design optimization by replacing finite element analysis (FEA) with an artificial neural network (ANN) and using this model in a genetic algorithm for design optimization. A baseline interior permanent-magnet motor is parameterized and sampled to generate FEA-labeled training data, after which a feed-forward ANN predicts key outputs (e.g., loss components and weight). The validated surrogate enables genetic-algorithm optimization and deep search over the design space without new FEA runs, producing Pareto-optimal trade-offs between weight and losses and set of optimized designs for rapid downselection of manufacturable motor designs.

Ribeiro, Pedro [ORNL] (ORCID:0009000921026641)↗
NASA NTRS1990

Orbital debris removal and salvage system

Four Texas A&M University projects are discussed. The first project is a design to eliminate a majority of orbital debris. The Orbital Debris and Salvage System will push the smaller particles into lower orbits where their orbits will decay at a higher rate. This will be done by momentum transfer via laser. The salvageable satellites will be delivered to the Space Station by an Orbital Transfer Vehicle. The rest of the debris will be collected by Salvage I. The second project is the design of a space based satellite system to prevent the depletion of atmospheric ozone. The focus is on ozone depletion in the Antarctic. The plan is to use an orbiting solar array system designed to transmit microwaves at a frequency of 22 GHz over the region in order to dissipate polar stratospheric clouds that form during the months beginning in August and ending in October. The third project, Project Poseidon, involves a conceptual design of a space based hurricane control system consisting of a network of 21 low-orbiting laser platforms arranged in three rings designed to heat the upper atmosphere of a developing tropical depression. Fusion power plants are proposed to provide power for the lasers. The fourth project, Project Donatello, involves a proposed Mars exploration initiative for the year 2050. The project is a conceptual design for a futuristic superfreighter that will transport large numbers of people and supplies to Mars for the construction of a full scale scientific and manufacturing complex.

Source record↗
DOE OSTI2025

QUANT-NET Control Plane Framework (QNCP) v1.0.0

The QUANT-NET Control Plane (QNCP) provides a software framework for expressing and managing quantum network resources. It may be used to orchestrate a physical quantum testbed with real device driver implementations, or it may be used as a proving ground when developing new protocols and management functions. In practice, both approaches may be useful when undertaking research and development in emerging quantum testbeds. While a number of control systems have been developed for specific quantum platform demonstrations, an openly available and general solution for operating quantum networks has not emerged. QNCP is designed to fill this gap. The framework has been designed to provide extensible, modular capabilities that include scheduling, routing, monitoring, and pluggable protocols. A number of reference implementations in each module category have been included in the installable packages; however, the intent is that each of these modules may be extended or re-implemented to meet the needs of the particular deployment or research need. The software is currently being used in the QUANT-NET testbed project, which spans resources between LBNL and UC Berkeley Physics.

Zhang, Liang [Lawrence Berkeley National Laborator↗
DOE OSTI2023

First Impressions: Early-time Classification of Supernovae Using Host-galaxy Information and Shallow Learning

Substantial effort has been devoted to the characterization of transient phenomena from photometric information. Automated approaches to this problem have taken advantage of complete phase coverage of an event, limiting their use for triggering rapid follow-up of ongoing phenomena. In this work, we introduce a neural network with a single recurrent layer designed explicitly for early photometric classification of supernovae (SNe). Our algorithm leverages transfer learning to account for model misspecification, host-galaxy photometry to solve the data-scarcity problem soon after discovery, and a custom weighted loss to prioritize accurate early classification. We first train our algorithm using state-of-the-art transient and host-galaxy simulations, then adapt its weights and validate it on the spectroscopically confirmed SNe Ia, SNe II, and SNe Ib/c from the Zwicky Transient Facility Bright Transient Survey. On observed data, our method achieves an overall accuracy of 82% ± 2% within 3 days of an event’s discovery, and an accuracy of 87% ± 5% within 30 days of discovery. At both early and late phases, our method achieves comparable or superior results to the leading classification algorithms with a simpler network architecture. These results help pave the way for rapid photometric and spectroscopic follow-up of scientifically valuable transients discovered in massive synoptic surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2008

Observability and Estimation of Distributed Space Systems via Local Information-Exchange Networks

In this work, we develop an approach to formation estimation by explicitly characterizing formation's system-theoretic attributes in terms of the underlying inter-spacecraft information-exchange network. In particular, we approach the formation observer/estimator design by relaxing the accessibility to the global state information by a centralized observer/estimator- and in turn- providing an analysis and synthesis framework for formation observers/estimators that rely on local measurements. The noveltyof our approach hinges upon the explicit examination of the underlying distributed spacecraft network in the realm of guidance, navigation, and control algorithmic analysis and design. The overarching goal of our general research program, some of whose results are reported in this paper, is the development of distributed spacecraft estimation algorithms that are scalable, modular, and robust to variations inthe topology and link characteristics of the formation information exchange network. In this work, we consider the observability of a spacecraft formation from a single observation node and utilize the agreement protocol as a mechanism for observing formation states from local measurements. Specifically, we show how the symmetry structure of the network, characterized in terms of its automorphism group, directly relates to the observability of the corresponding multi-agent system The ramification of this notion of observability over networks is then explored in the context of distributed formation estimation.

observability↗
NASA NTRS1992

Application of a neural network to simulate analysis in an optimization process

A new experimental software package called NETS/PROSSS aimed at reducing the computing time required to solve a complex design problem is described. The software combines a neural network for simulating the analysis program with an optimization program. The neural network is applied to approximate results of a finite element analysis program to quickly obtain a near-optimal solution. Results of the NETS/PROSSS optimization process can also be used as an initial design in a normal optimization process and make it possible to converge to an optimum solution with significantly fewer iterations.

Rogers, James L.↗
NASA NTRS1992

A new approach for data acquisition at the JPL space simulators

In 1990, a personal computer based data acquisition system was put into service for the Space Simulators and Environmental Test Laboratory at the Jet Propulsion Laboratory (JPL) in Pasadena, California. The new system replaced an outdated minicomputer system which had been in use since 1980. This new data acquisition system was designed and built by JPL for the specific task of acquiring thermal test data in support of space simulation and thermal vacuum testing at JPL. The data acquisition system was designed using powerful personal computers and local-area-network (LAN) technology. Reliability, expandability, and maintainability were some of the most important criteria in the design of the data system and in the selection of hardware and software components. The data acquisition system is used to record both test chamber operational data and thermal data from the unit under test. Tests are conducted in numerous small thermal vacuum chambers and in the large solar simulator and range in size from individual components using only 2 or 3 thermocouples to entire planetary spacecraft requiring in excess of 1200 channels of test data. The system supports several of these tests running concurrently. The previous data system is described along with reasons for its replacement, the types of data acquired, the new data system, and the benefits obtained from the new system including information on tests performed to date.

Fisher, Terry C.↗
NASA NTRS2005

High-Performance Satellite/Terrestrial-Network Gateway

A gateway has been developed to enable digital communication between (1) the high-rate receiving equipment at NASA's White Sands complex and (2) a standard terrestrial digital communication network at data rates up to 622 Mb/s. The design of this gateway can also be adapted for use in commercial Earth/satellite and digital communication networks, and in terrestrial digital communication networks that include wireless subnetworks. Gateway as used here signifies an electronic circuit that serves as an interface between two electronic communication networks so that a computer (or other terminal) on one network can communicate with a terminal on the other network. The connection between this gateway and the high-rate receiving equipment is made via a synchronous serial data interface at the emitter-coupled-logic (ECL) level. The connection between this gateway and a standard asynchronous transfer mode (ATM) terrestrial communication network is made via a standard user network interface with a synchronous optical network (SONET) connector. The gateway contains circuitry that performs the conversion between the ECL and SONET interfaces. The data rate of the SONET interface can be either 155.52 or 622.08 Mb/s. The gateway derives its clock signal from a satellite modem in the high-rate receiving equipment and, hence, is agile in the sense that it adapts to the data rate of the serial interface.

Beering, David R.↗
NASA NTRS2012

Autonomous Information Unit for Fine-Grain Data Access Control and Information Protection in a Net-Centric System

As communication and networking technologies advance, networks will become highly complex and heterogeneous, interconnecting different network domains. There is a need to provide user authentication and data protection in order to further facilitate critical mission operations, especially in the tactical and mission-critical net-centric networking environment. The Autonomous Information Unit (AIU) technology was designed to provide the fine-grain data access and user control in a net-centric system-testing environment to meet these objectives. The AIU is a fundamental capability designed to enable fine-grain data access and user control in the cross-domain networking environments, where an AIU is composed of the mission data, metadata, and policy. An AIU provides a mechanism to establish trust among deployed AIUs based on recombining shared secrets, authentication and verify users with a username, X.509 certificate, enclave information, and classification level. AIU achieves data protection through (1) splitting data into multiple information pieces using the Shamir's secret sharing algorithm, (2) encrypting each individual information piece using military-grade AES-256 encryption, and (3) randomizing the position of the encrypted data based on the unbiased and memory efficient in-place Fisher-Yates shuffle method. Therefore, it becomes virtually impossible for attackers to compromise data since attackers need to obtain all distributed information as well as the encryption key and the random seeds to properly arrange the data. In addition, since policy can be associated with data in the AIU, different user access and data control strategies can be included. The AIU technology can greatly enhance information assurance and security management in the bandwidth-limited and ad hoc net-centric environments. In addition, AIU technology can be applicable to general complex network domains and applications where distributed user authentication and data protection are necessary. AIU achieves fine-grain data access and user control, reducing the security risk significantly, simplifying the complexity of various security operations, and providing the high information assurance across different network domains.

Chow, Edward T.↗
NASA NTRS1999

Remote Sensing of Aerosol and their Radiative Forcing of Climate

Remote sensing of aerosol and aerosol radiative forcing of climate is going through a major transformation. The launch in next few years of new satellites designed specifically for remote sensing of aerosol is expected to further revolutionized aerosol measurements: until five years ago satellites were not designed for remote sensing of aerosol. Aerosol optical thickness was derived as a by product, only over the oceans using one AVHRR channel with errors of approx. 50%. However it already revealed a very important first global picture of the distribution and sources of aerosol. In the last 5 years we saw the introduction of polarization and multi-view observations (POLDER and ATSR) for satellite remote sensing of aerosol over land and ocean. Better products are derived from AVHRR using its two channels. The new TOMS aerosol index shows the location and transport of aerosol over land and ocean. Now we anticipate the launch of EOS-Terra with MODIS, MISR and CERES on board for multi-view, multi-spectral remote sensing of aerosol and its radiative forcing. This will allow application of new techniques, e.g. using a wide spectral range (0.55-2.2 microns) to derive precise optical thickness, particle size and mass loading. Aerosol is transparent in the 2.2 microns channel, therefore this channel can be used to detect surface features that in turn are used to derive the aerosol optical thickness in the visible part of the spectrum. New techniques are developed to derive the aerosol single scattering albedo, a measure of absorption of sunlight, and techniques to derive directly the aerosol forcing at the top of the atmosphere. In the last 5 years a global network of sun/sky radiometers was formed, designed to communicate in real time the spectral optical thickness from 50-80 locations every day, every 15 minutes. The sky angular and spectral information is also measured and used to retrieve the aerosol size distribution, refractive index, single scattering albedo and the spectral flux reaching the surface. Effort to introduce remote sensing from lidars will literally additional dimension to aerosol remote sensing. The vertical dimension is a critical link between the global satellite observations and modeling of aerosol transport. Lidars are also critical to study aerosol impact on cloud microphysics and reflectance. Both lidar ground networks and satellite systems are in development. This new capability is expected to put remote sensing in the forefront of aerosol and climate studies. Together with field experiments, chemical analysis and chemical transport models we anticipate, in the next decade, to be able to resolve some of the outstanding questions regarding the role of aerosol in climate, in atmospheric chemistry and its influence on human health and life on this planet.

Kaufman, Yoram J.↗
DOE OSTI2024

Multi deep learning-based stochastic microstructure reconstruction and high-fidelity micromechanics simulation of time-dependent ceramic matrix composite response

A multi deep learning-based framework is developed for efficient, automated microstructure reconstruction and generation of stochastic representative volume elements (SRVEs) with periodic boundary conditions (PBCs) for accurate modeling of ceramic matrix composite (CMC) response. The methodology comprises a convolutional neural network coupled with regression layers to act as a vanilla regression network for semantic segmentation of the microstructure, allowing accurate characterization of the phases and their distributions at the microscale. Scanning electron microscope and confocal microscope are used to obtain C/SiNC and SiC/SiNC CMCs micrographs for vanilla regression testing. Microstructure variability in terms of fiber volume fraction and porosity are quantified through the output regression layer, ensuring accurate representation of material variability in SRVE construction. Generative adversarial network (GAN) and its variants are designed to produce high-fidelity SRVE, spanning CMCs microstructure variability space. A circular padding algorithm is developed to generate SRVEs with PBCs during training of GANs. The accuracy of the generated SRVEs is established through micromechanics simulations, where an efficient formulation of the high-fidelity generalized methods of cells (HFGMC) approach is used to compute the effective mechanical properties. Furthermore, an iterative algorithm is implemented in the HFGMC solver to simulate time-dependent deformation of SiC/SiNC subjected to creep loading conditions.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Lunar Node 1 and Beyond

Lunar Node 1 (LN-1) is an S-band Navigation beacon for lunar applications that was recently designed and built at MSFC. As part of NASA's Commercial Lunar Payload Services initiative, this beacon will be delivered to the moon's surface on Intuitive Machine's NOVA-C lunar lander in November 2021. During this mission, LN-1’s goal will be to demonstrate navigation technologies that can support local surface and orbital operations around the moon, enabling autonomy which would decrease dependency on heavily utilized Earth based assets like the Deep Space Network. To do this, LN-1’s design leverages Cubesat components as well as the Multi-spacecraft Autonomous Positioning System (MAPS) algorithms, which enable the autonomous spacecraft positioning through communication-integrated navigation measurements. In addition to demonstrating the MAPS payload, the radio will also be used in standard tone-based non-coherent ranging and Doppler tracking to provide an alternate approaches and comparisons for navigation performance. LN-1 will represent a single node in a potential greater MAPS network of assets. While LN-1 awaits launch to demonstrate this initial use of one-way navigation, designs are already under way for proposed subsequent missions like LN-2 to enable expanded capability. The next steps in these missions seek to include a receive capability to allow two-way ranging support with other operational spacecraft in the lunar vicinity, and to provide some component upgrades related to the radio, power, and thermal systems that will improve the longevity of the payload in the harsh lunar environment. The LN-1 design details, status, and potential forward work with mission like LN-2 will be outlined in this presentation.

Evan John Anzalone↗
DOE OSTI2023

ESnet Requirements Review Program Through the IRI Lens: A Meta-Analysis of Workflow Patterns Across DOE Office of Science Programs (Final Report)

The Department of Energy (DOE) ensures America’s security and prosperity by addressing its energy, environmental, and nuclear challenges through transformative science and technology solutions. The DOE’s Office of Science (SC) delivers groundbreaking scientific discoveries and major scientific tools that transform our understanding of nature and advance the energy, economic, and national security of the United States. The SC’s programs advance DOE mission science across a wide range of disciplines and have developed the research infrastructure needed to remain at the forefront of scientific discovery. The DOE SC’s world-class research infrastructure — exemplified by the 28 SC scientific user facilities — provides the research community with premier observational, experimental, computational, and network capabilities. Each user facility is designed to provide unique capabilities to advance core DOE mission science for its sponsor SC program and to stimulate a rich discovery and innovation ecosystem. Research communities gather and flourish around each user facility, bringing together diverse perspectives. A hallmark of many facilities is the large population of students, postdoctoral researchers, and early-career scientists who contribute as full-fledged users. These facility staff and users collaborate over years to devise new approaches to utilizing the user facility’s core capabilities. The history of the SC user facilities has many examples of wildly inventive researchers challenging operational orthodoxy to pioneer new vistas of discovery; for example, the use of the synchrotron X-ray light sources for study of proteins and other large biological molecules. This continual reinvention of the practice of science — as users and staff forge novel approaches expressed in research workflows — unlocks new discoveries and propels scientific progress. Within this research ecosystem, the high-performance computing (HPC) and networking user facilities stewarded by SC’s Advanced Scientific Computing Research (ASCR) program play a dynamic cross-cutting role, enabling complex workflows demanding high performance data, networking, and computing solutions. The DOE SC’s three HPC user facilities and the Energy Sciences Network (ESnet) high-performance research network serve all of the SC’s programs as well as the global research community. Argonne Leadership Computing Facility (ALCF), the National Energy Research Scientific Computing Center (NERSC), and Oak Ridge Leadership Computing Facility (OLCF) conceive, build, and provide access to a range of supercomputing, advanced computing, and large-scale data-infrastructure platforms, while ESnet interconnects DOE SC research infrastructure and enables seamless exchange of scientific data. All four facilities operate testbeds to expand the frontiers of computing and networking research. Together, the ASCR facilities enterprise seeks to understand and meet the needs and requirements across SC and DOE domain science programs and priority efforts, highlighted by the formal requirements reviews (RRs) methodology. In recent years, the research communities around the SC user facilities have begun experimenting with and demanding solutions integrated with HPC and data infrastructure. This rise of integrated-science approaches is documented in many community and high-level government reports. At the dawn of the era of exascale science and the acceleration of artificial intelligence (AI) innovation, there is a broad need for integrated computational, data, and networking solutions. In response to these drivers, DOE has developed a vision for an Integrated Research Infrastructure (IRI): To empower researchers to meld DOE’s world-class research tools, infrastructure, and user facilities seamlessly and securely in novel ways to radically accelerate discovery and innovation.

42 ENGINEERING↗
NASA NTRS2004

Interplanetary navigation using a continental baseline large antenna arrays

Navigation is a key component of interplanetary missions and must continue to be precise with the changing landscape of antenna design. Improvements for the Deep Space Network (DSN) may include the use of antenna arrays to simulate the power of a larger single antenna at much lower operating and construction costs. Therefore, it is necessary to test the performance of arrayed antennas from a navigational point-of-view. This initial investigation focuses on the performance of arrayed antennas from a navigational point-of-view. This initial investigation focuses on the performance of delta one-way range measurements using a shorter baseline with more data collection then current systems use. With all other parameter equal, the longer the baseline, the better the accuracy for navigation making the number of data packets very important. This trade study compares baseline distances ranging from 1 to 1000km with an in use baseline, looking at a due east baseline, a due north baseline at 45 degrees East of North. The precision of the baseline systems can be found through a simulated created for this purpose using the Jet Propulsion Lab based Monte navigation and mission design tool. The simulation combines the delta one-way range measurements with two-range and two-way Doppler measurements and puts the measurements through a Kalman filter to determine an orbit solution. Noise is added along with initial errors to give the simulation realism. This study is an important step towards the assessment of the utility of arrays for navigational purposes. The preliminary results have showed a decrease in reliability as the baseline is shortened but the larger continental baselines show comparable results t that of the current Goldstone to Canberra.

very long baseline interferometry (VLBI)↗
NASA NTRS1989

DSN 70-meter antenna microwave optics design and performance improvements. Part 2: Comparison with measurements

The measured Deep Space Network (DSN) 70-meter antenna performance at S- and X-bands is compared with the design expectations. A discussion of natural radio-source calibration standards is given. New estimates of DSN 64-meter antenna performance are given, based on improved values of calibration source flux and size correction. A comparison of the 64- and 70-meter performances shows that average S-band peak gain improvement is 1.94 dB, compared with a design expectation of 1.77 dB. At X-band, the average peak gain improvement is 2.12 dB, compared with the (coincidentally similar) design expectation of 1.77 dB. The average measured 70-meter S-band peak gain exceeds the nominal design-expected gain by 0.02 dB; the average measured 70-meter X-band peak gain is 0.14 dB below the nominal design-expected gain.

Bathker, D. A.↗
NASA NTRS1996

Neural Networks for Flight Control

Neural networks are being developed at NASA Ames Research Center to permit real-time adaptive control of time varying nonlinear systems, enhance the fault-tolerance of mission hardware, and permit online system reconfiguration. In general, the problem of controlling time varying nonlinear systems with unknown structures has not been solved. Adaptive neural control techniques show considerable promise and are being applied to technical challenges including automated docking of spacecraft, dynamic balancing of the space station centrifuge, online reconfiguration of damaged aircraft, and reducing cost of new air and spacecraft designs. Our experiences have shown that neural network algorithms solved certain problems that conventional control methods have been unable to effectively address. These include damage mitigation in nonlinear reconfiguration flight control, early performance estimation of new aircraft designs, compensation for damaged planetary mission hardware by using redundant manipulator capability, and space sensor platform stabilization. This presentation explored these developments in the context of neural network control theory. The discussion began with an overview of why neural control has proven attractive for NASA application domains. The more important issues in control system development were then discussed with references to significant technical advances in the literature. Examples of how these methods have been applied were given, followed by projections of emerging application needs and directions.

Jorgensen, Charles C.↗
DOE OSTI2022

Network analysis uncovers the communication structure of SARS-CoV-2 spike protein identifying sites for immunogen design

The COVID-19 pandemic, caused by the SARS-CoV-2 virus, has triggered myriad efforts to understand the structure and dynamics of this complex pathogen. The spike glycoprotein of SARS-CoV-2 is a significant target for immunogens as it is the means by which the virus enters human cells, while simultaneously sporting mutations responsible for immune escape. These functional and escape processes are regulated by complex molecular-level interactions. Our study presents quantitative insights on domain and residue contributions to allosteric communication, immune evasion, and local- and global-level control of functions through the derivation of a weighted graph representation from all-atom MD simulations. Focusing on the ancestral form and the D614G-variant, we provide evidence of the utility of our approach by guiding the selection of a mutation that alters the spike’s stability. Taken together, the network approach serves as a valuable tool to evaluate communication “hot-spots” in proteins to guide design of stable immunogens.

60 APPLIED LIFE SCIENCES↗