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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Improving Protein–Ligand Interaction Modeling with cryo-EM Data, Templates, and Deep Learning in 2021 Ligand Model Challenge

Elucidating protein–ligand interaction is crucial for studying the function of proteins and compounds in an organism and critical for drug discovery and design. The problem of protein–ligand interaction is traditionally tackled by molecular docking and simulation, which is based on physical forces and statistical potentials and cannot effectively leverage cryo-EM data and existing protein structural information in the protein–ligand modeling process. In this work, we developed a deep learning bioinformatics pipeline (DeepProLigand) to predict protein–ligand interactions from cryo-EM density maps of proteins and ligands. DeepProLigand first uses a deep learning method to predict the structure of proteins from cryo-EM maps, which is averaged with a reference (template) structure of the proteins to produce a combined structure to add ligands. The ligands are then identified and added into the structure to generate a protein–ligand complex structure, which is further refined. The method based on the deep learning prediction and template-based modeling was blindly tested in the 2021 EMDataResource Ligand Challenge and was ranked first in fitting ligands to cryo-EM density maps. These results demonstrate that the deep learning bioinformatics approach is a promising direction for modeling protein–ligand interactions on cryo-EM data using prior structural information.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1986

Pseudo-prototyping of aerospace mechanical dynamic systems with a generalized computer program

The ADAMS computer program for automated analysis of mechanisms and machines is described. The program automatically formulates mathematical models for prototype or existing mechanisms with the minimum necessary physical and geometric data. The model can then be analyzed in various modes of analysis. The outputs (displacements, velocities, acceleration and forces) can be produced in tabular and graphical (plots, wire frame graphics) form. The application of this computer program to simulating satellite docking maneuvers is illustrated.

Sohoni, Vikram N.↗
NASA NTRS1989

Conceptual design of a moving belt radiator shuttle-attached experiments: Technical requirement Document

The technical requirements for a shuttle-attached Moving Belt Radiator (MBR) experiment are defined. The MBR is an advanced radiator concept in which a rotating belt radiates thermal energy to space. The requirements for integrating the MBR experiment in the shuttle bay are discussed. Requirements for the belt material and working fluid are outlined along with some possible options. The proposed size and relationship to a full scale Moving Belt Radiator are defined. The experiment is defined with the primary goal of dynamic testing and a secondary goal of demonstrating the sealing and heat transfer characteristics. A perturbation system which will simulate a docking maneuver or other type of short term acceleration is proposed for inclusion in the experimental apparatus. A deployment and retraction capability which will aid in evaluating the dynamics of a belt during such a maneuver is also described. The proposed test sequence for the experiment is presented. Details of the conceptual design are not presented herein, but rather in a separate Final Report.

Aguilar, Jerry L.↗
NASA NTRS1991

Electro-optical rendezvous and docking sensors

Electro-optical sensors provide unique and critical functionality for space missions requiring rendezvous, docking, and berthing. McDonnell Douglas is developing a complete rendezvous and docking system for both manned and unmanned missions. This paper examines our sensor development and the systems and missions which benefit from rendezvous and docking sensors. Simulation results quantifying system performance improvements in key areas are given, with associated sensor performance requirements. A brief review of NASA-funded development activities and the current performance of electro-optical sensors for space applications is given. We will also describe current activities at McDonnell Douglas for a fully functional demonstration to address specific NASA mission needs.

Tubbs, David J.↗
NASA NTRS2003

Laser-Based Relative Navigation and Guidance for Space Shuttle Proximity Operations

American manned spacecraft have used visual piloting techniques in the terminal phase of randezvous during the Gemini, Apollo, Skylab, and Space Shuttle programs. In the last several years, space- shuttle astronauts have used the Rendezvous and Proximity Operations Program (RPOP), running; on a laptop computer, as a guidance and navigation aid during proximity operations. By processing measurements to the target satellite taken by a laser sensor, RPOP provides the shuttle crew with a more accurate relative position and velocity than from any other source. The inclusion of guidance algorithms allows RPOP to determine delta-velocities to fly very efficient, repeatable trajectories. This paper will focus on the guidance and navigation algorithms in RPOP, as well as results from simulation and flight. Although developed for shuttle proximity operations, the RPOP algorithms have potential applicability to an automated vehicle.

Laser sensors↗
NASA NTRS2006

Functional brain imaging of a complex navigation task following one night of total sleep deprivation

Study Objectives: To assess the cerebral effects associated with sleep deprivation in a simulation of a complex, real-world, high-risk task. Design and Interventions: A two-week, repeated measures, cross-over experimental protocol, with counterbalanced orders of normal sleep (NS) and total sleep deprivation (TSD). Setting: Each subject underwent functional magnetic resonance imaging (fMRI) while performing a dual-joystick, 3D sensorimotor navigation task (simulated orbital docking). Scanning was performed twice per subject, once following a night of normal sleep (NS), and once following a single night of total sleep deprivation (TSD). Five runs (eight 24s docking trials each) were performed during each scanning session. Participants: Six healthy, young, right-handed volunteers (2 women; mean age 20) participated. Measurements and Results: Behavioral performance on multiple measures was comparable in the two sleep conditions. Neuroimaging results within sleep conditions revealed similar locations of peak activity for NS and TSD, including left sensorimotor cortex, left precuneus (BA 7), and right visual areas (BA 18/19). However, cerebral activation following TSD was substantially larger and exhibited higher amplitude modulations from baseline. When directly comparing NS and TSD, most regions exhibited TSD>NS activity, including multiple prefrontal cortical areas (BA 8/9,44/45,47), lateral parieto-occipital areas (BA 19/39, 40), superior temporal cortex (BA 22), and bilateral thalamus and amygdala. Only left parietal cortex (BA 7) demonstrated NS>TSD activity. Conclusions: The large network of cerebral differences between the two conditions, even with comparable behavioral performance, suggests the possibility of detecting TSD-induced stress via functional brain imaging techniques on complex tasks before stress-induced failures.

Strangman, Gary↗
NASA NTRS1993

Orbital docking system centerline color television camera system test

A series of tests was run to verify that the design of the centerline color television camera (CTVC) system is adequate optically for the STS-71 Space Shuttle Orbiter docking mission with the Mir space station. In each test, a mockup of the Mir consisting of hatch, docking mechanism, and docking target was positioned above the Johnson Space Center's full fuselage trainer, which simulated the Orbiter with a mockup of the external airlock and docking adapter. Test subjects viewed the docking target through the CTVC under 30 different lighting conditions and evaluated target resolution, field of view, light levels, light placement, and methods of target alignment. Test results indicate that the proposed design will provide adequate visibility through the centerline camera for a successful docking, even with a reasonable number of light failures. It is recommended that the flight deck crew have individual switching capability for docking lights to provide maximum shadow management and that centerline lights be retained to deal with light failures and user preferences. Procedures for light management should be developed and target alignment aids should be selected during simulated docking runs.

Mongan, Philip T.↗
NASA NTRS1975

Tug rendezvous and docking with a spacecraft - A remote manned approach

The development and use of a visual simulator for remote-manned rendezvous and docking utilizing frame-by-frame, slow-scan, low-light-level TV (LLLTV) was conceived and initiated in mid-1974. The effort was limited to modification, checkout, and validation of simulator hardware specific to this task, to the development of simulation (digital computer) software, and technical support to several rendezvous and docking simulation studies. Analysis and simulation has shown that LLLTV, such as would be required for satellite inspection, could provide a suitable acquisition sensor for a remote manned rendezvous/docking subsystem. A manned, remote simulation has demonstrated its feasibility during the terminal rendezvous and docking phases. Should this approach prove fully adequate in subsequent detailed simulation studies and tests, an order-of-magnitude cost savings can be obtained for early rendezvous and docking operations.

Hurley, M. J.↗
NASA NTRS1991

Six degree of freedom simulation system for evaluating automated rendezvous and docking spacecraft

Future logistics supply and servicing vehicles such as cargo transfer vehicles (CTV) must have full 6 degree of freedom (6DOF) capability in order to perform requisite rendezvous, proximity operations, and capture operations. The design and performance issues encountered when developing a 6DOF maneuvering spacecraft are very complex with subtle interactions which are not immediately obvious or easily anticipated. In order to deal with these complexities and develop robust maneuvering spacecraft designs, a simulation system and associated family of tools are used at TRW for generating and validating spacecraft performance requirements and guidance algorithms. An overview of the simulator and tools is provided. These are used by TRW for autonomous rendezvous and docking research projects including CTV studies.

Rourke, Kenneth H.↗
NASA NTRS1985

Autonomous spacecraft rendezvous and docking

A storyboard display is presented which summarizes work done recently in design and simulation of autonomous video rendezvous and docking systems for spacecraft. This display includes: photographs of the simulation hardware, plots of chase vehicle trajectories from simulations, pictures of the docking aid including image processing interpretations, and drawings of the control system strategy. Viewgraph-style sheets on the display bulletin board summarize the simulation objectives, benefits, special considerations, approach, and results.

Tietz, J. C.↗
NASA NTRS2016

Simulation of Mission Phases

This position with the Simulation and Graphics Branch (ER7) at Johnson Space Center (JSC) provided an introduction to vehicle hardware, mission planning, and simulation design. ER7 supports engineering analysis and flight crew training by providing high-fidelity, real-time graphical simulations in the Systems Engineering Simulator (SES) lab. The primary project assigned by NASA mentor and SES lab manager, Meghan Daley, was to develop a graphical simulation of the rendezvous, proximity operations, and docking (RPOD) phases of flight. The simulation is to include a generic crew/cargo transportation vehicle and a target object in low-Earth orbit (LEO). Various capsule, winged, and lifting body vehicles as well as historical RPOD methods were evaluated during the project analysis phase. JSC core mission to support the International Space Station (ISS), Commercial Crew Program (CCP), and Human Space Flight (HSF) influenced the project specifications. The simulation is characterized as a 30 meter +V Bar and/or -R Bar approach to the target object's docking station. The ISS was selected as the target object and the international Low Impact Docking System (iLIDS) was selected as the docking mechanism. The location of the target object's docking station corresponds with the RPOD methods identified. The simulation design focuses on Guidance, Navigation, and Control (GNC) system architecture models with station keeping and telemetry data processing capabilities. The optical and inertial sensors, reaction control system thrusters, and the docking mechanism selected were based on CCP vehicle manufacturer's current and proposed technologies. A significant amount of independent study and tutorial completion was required for this project. Multiple primary source materials were accessed using the NASA Technical Report Server (NTRS) and reference textbooks were borrowed from the JSC Main Library and International Space Station Library. The Trick Simulation Environment and User Training Materials version 2013.0 release was used to complete the Trick tutorial. Multiple network privilege and repository permission requests were required in order to access previous simulation models. The project was also an introduction to computer programming and the Linux operating system. Basic C++ and Python syntax was used during the completion of the Trick tutorial. Trick's engineering analysis and Monte Carlo simulation capabilities were observed and basic space mission planning procedures were applied in the conceptual design phase. Multiple professional development opportunities were completed in addition to project duties during this internship through the System for Administration, Training, and Education Resources for NASA (SATERN). Topics include: JSC Risk Management Workshop, CCP Risk Management, Basic Radiation Safety Training, X-Ray Radiation Safety, Basic Laser Safety, JSC Export Control, ISS RISE Ambassador, Basic SharePoint 2013, Space Nutrition and Biochemistry, and JSC Personal Protective Equipment. Additionally, this internship afforded the opportunity for formal project presentation and public speaking practice. This was my first experience at a NASA center. After completing this internship I have a much clearer understanding of certain aspects of the agency's processes and procedures, as well as a deeper appreciation from spaceflight simulation design and testing. I will continue to improve my technical skills so that I may have another opportunity to return to NASA and Johnson Space Center.

Carlstrom, Nicholas Mercury↗
DOE OSTI2021

Discovery of Small-Molecule Inhibitors of SARS-CoV-2 Proteins Using a Computational and Experimental Pipeline

A rapid response is necessary to contain emergent biological outbreaks before they can become pandemics. The novel coronavirus (SARS-CoV-2) that causes COVID-19 was first reported in December of 2019 in Wuhan, China and reached most corners of the globe in less than two months. In just over a year since the initial infections, COVID-19 infected almost 100 million people worldwide. Although similar to SARS-CoV and MERS-CoV, SARS-CoV-2 has resisted treatments that are effective against other coronaviruses. Crystal structures of two SARS-CoV-2 proteins, spike protein and main protease, have been reported and can serve as targets for studies in neutralizing this threat. We have employed molecular docking, molecular dynamics simulations, and machine learning to identify from a library of 26 million molecules possible candidate compounds that may attenuate or neutralize the effects of this virus. The viability of selected candidate compounds against SARS-CoV-2 was determined experimentally by biolayer interferometry and FRET-based activity protein assays along with virus-based assays. In the pseudovirus assay, imatinib and lapatinib had IC 50 values below 10 μM, while candesartan cilexetil had an IC 50 value of approximately 67 µM against M pro in a FRET-based activity assay. Comparatively, candesartan cilexetil had the highest selectivity index of all compounds tested as its half-maximal cytotoxicity concentration 50 (CC 50 ) value was the only one greater than the limit of the assay (>100 μM).

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1995

STS-63 Commander Wetherbee Explains Five Minute Window and Mir Rendezvous

In a preflight interview, Commander James B. Wetherbee of the STS-63 Discovery mission gives an overview of the upcoming rendezvous with Mir and the five minute window in which the rendezvous takes place. Computerized simulations show the docking of the Discovery Orbiter with Mir.

Source record↗
NASA NTRS2007

Development of a Deployable Nonmetallic Boom for Reconfigurable Systems of Small Spacecraft

In 2005, NASA commenced Phase 1 of the Modular Reconfigurable High Energy Technology Demonstrator (MRHE) program to investigate reconfigurable systems of small spacecraft. During that year, Lockheed Martin's Advanced Technology Center (ATC) led an accelerated effort to develop a 1-g MRHE concept demonstration featuring robotic spacecraft simulators equipped with docking mechanisms and deployable booms. The deployable boom built for MRHE was the result of a joint effort in which ATK was primarily responsible for developing and fabricating the Collapsible Rollable Tube (CRT patent pending) boom while Lockheed Martin designed and built the motorized Boom Deployment Mechanism (BDM) under a concurrent but separate IR&D program. Tight coordination was necessary to meet testbed integration and functionality requirements. This paper provides an overview of the CRT boom and BDM designs and presents preliminary results of integration and testing to support the MRHE demonstration.

Rehnmark, Fredrik↗