Search NASA⌕ Search

SEARCH · Search NASA

Results for “sequence design”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Science sequence design

The activities of the following members of the Navigation Team are recorded: the Science Sequence Design Group, responsible for preparing the final science sequence designs; the Advanced Sequence Planning Group, responsible for sequence planning; and the Science Recommendation Team (SRT) representatives, responsible for conducting the necessary sequence design interfaces with the teams during the mission. The interface task included science support in both advance planning and daily operations. Science sequences designed during the mission are also discussed.

Koskela, P. E.↗
DOE OSTI2022

Protein sequence design with a learned potential

The task of protein sequence design is central to nearly all rational protein engineering problems, and enormous effort has gone into the development of energy functions to guide design. Here, we investigate the capability of a deep neural network model to automate design of sequences onto protein backbones, having learned directly from crystal structure data and without any human-specified priors. The model generalizes to native topologies not seen during training, producing experimentally stable designs. We evaluate the generalizability of our method to a de novo TIM-barrel scaffold. The model produces novel sequences, and high-resolution crystal structures of two designs show excellent agreement with in silico models. Our findings demonstrate the tractability of an entirely learned method for protein sequence design.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1973

Mariner 9 mapping science sequence design.

The primary mission of Mariner 9 was to map the Martian surface. This paper discusses in detail the design of the mapping science sequences which were executed by the spacecraft in sixty days and during which over eighty percent of the surface was photographed. The sequence design was influenced by many factors: experimenter scientific objectives, instrument capabilities, spacecraft capabilities, orbit characteristics, and data return rates, which are illustrated graphically. Typical orbits are depicted for each of the three different mapping phases lasting twenty days. Examples of typical orbital sequence plans prepared daily during mission operations are given.

Goldman, A. M., Jr.↗
NASA NTRS1973

Mariner 9 extended mission sequence design optimization

This paper discusses the Mariner 9 science sequence design during the extended mission including science objectives, and mission operation and spacecraft constraints. The primary objectives of the extended mission were to complete 100% mapping of the planet, photograph special interest targets, obtain high resolution coverage of prospective Viking landing sites, and to function through the superior conjunction period. The optimization of planet viewing characteristics by moving to different celestial reference stars, and the techniques used to efficiently allocate science links to data taking days are described.

Reichert, R. J.↗
DOE OSTI2022

Robust deep learning–based protein sequence design using ProteinMPNN

Although deep learning has revolutionized protein structure prediction, almost all experimentally characterized de novo protein designs have been generated using physically based approaches such as Rosetta. Here, we describe a deep learning–based protein sequence design method, ProteinMPNN, that has outstanding performance in both in silico and experimental tests. On native protein backbones, ProteinMPNN has a sequence recovery of 52.4% compared with 32.9% for Rosetta. The amino acid sequence at different positions can be coupled between single or multiple chains, enabling application to a wide range of current protein design challenges. We demonstrate the broad utility and high accuracy of ProteinMPNN using x-ray crystallography, cryo–electron microscopy, and functional studies by rescuing previously failed designs, which were made using Rosetta or AlphaFold, of protein monomers, cyclic homo-oligomers, tetrahedral nanoparticles, and target-binding proteins.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Sequence Design of Random Heteropolymers as Protein Mimics

Random heteropolymers (RHPs) have been computationally designed and experimentally shown to recapitulate protein-like phase behavior and function. However, unlike proteins, RHP sequences are only statistically defined and cannot be sequenced. Recent developments in reversible-deactivation radical polymerization allowed simulated polymer sequences based on the well-established Mayo–Lewis equation to more accurately reflect ground-truth sequences that are experimentally synthesized. This led to opportunities to perform bioinformatics-inspired analysis on simulated sequences to guide the design, synthesis, and interpretation of RHPs. We compared batches on the order of 10000 simulated RHP sequences that vary by synthetically controllable and measurable RHP characteristics such as chemical heterogeneity and average degree of polymerization. Our analysis spans across 3 levels: segments along a single chain, sequences within a batch, and batch-averaged statistics. We discuss simulator fidelity and highlight the importance of robust segment definition. Examples are presented that demonstrate the use of simulated sequence analysis for in-silico iterative design to mimic protein hydrophobic/hydrophilic segment distributions in RHPs and compare RHP and protein sequence segments to explain experimental results of RHPs that mimic protein function. To facilitate the community use of this workflow, the simulator and analysis modules have been made available through an open source toolkit, the RHPapp.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Mariner Mars 1971 television picture catalog. Volume 2: Sequence design and picture coverage

A collection of data relating to the Mariner 9 TV picture is presented. The data are arranged to offer speedy identification of what took place during entire science cycles, on individual revolutions, and during individual science links or sequences. Summary tables present the nominal design for each of the major picture-taking cycles, along with the sequences actually taken on each revolution. These tables permit identification at a glance, all TV sequences and the corresponding individual pictures for the first 262 revolutions (primary mission). A list of TV pictures, categorized according to their latitude and longitude, is also provided. Orthographic and/or mercator plots for all pictures, along with pertinent numerical data for their center points are presented. Other tables and plots of interest are also included. This document is based upon data contained in the Supplementary Experiment Data Record (SEDR) files as of 21 August 1972.

Koskela, P. E.↗
DOE OSTI2024

Accelerated Sequence Design of Star Block Copolymers: An Unbiased Exploration Strategy via Fusion of Molecular Dynamics Simulations and Machine Learning

Star block copolymers (s-BCPs) have potential applications as novel surfactants or amphiphiles for emulsification, compatibilization, chemical transformations, and separations. s-BCPs have chain architectures where three or more linear diblock copolymer arms comprised of two chemically distinct linear polymers, e.g., solvophobic and solvophilic chains, are covalently joined at one point. The chemical composition of each of the subunit polymer chains comprising the arms, their molecular weights, and the number of arms can be varied to tailor the surface and interfacial activity of these architecturally unique molecules. Further, this makes identification of the optimal s-BCP design nontrivial as the total number of plausible s-BCP architectures is experimentally or computationally intractable. In this work, we use molecular dynamics (MD) simulations coupled with a reinforcement learning-based Monte Carlo tree search (MCTS) to identify s-BCP designs that minimize the interfacial tension between polar and nonpolar solvents. We first validate the MCTS approach for the design of small- and medium-sized s-BCPs and then use it to efficiently identify sequences of copolymer blocks for large-sized s-BCPs. The structural origins of interfacial tension in these systems are also identified by using the configurations obtained from MD simulations. Chemical insights into the arrangement of copolymer blocks that promote lower interfacial tension were mined using machine learning (ML) techniques. Overall, this work provides an efficient approach to solve design problems via fusion of simulations and ML and provides important groundwork for future experimental investigation of s-BCPs for various applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Maneuver sequence design for the post-Jupiter leg of Pioneer Saturn

After passing the planet Jupiter in December 1974, Pioneer 11 is on a flight path on which it will encounter Saturn in late 1979. Following an uncorrected trajectory, the spacecraft would pass 2 million km behind Saturn. A sequence of midcourse maneuvers for modifying the Pioneer trajectory is discussed. The corrected flight path is to bring the spacecraft within 500,000 km of Saturn's satellite Titan. Attention is given to maneuver capabilities and constraints, the maneuver design concept, questions related to the selection of an interim aimpoint, and aspects of maneuver implementation.

Frauenholz, R. B.↗
NASA NTRS1981

Sequencing design for BFS engagement

The Space Shuttle's avionics system is controlled by five onboard computers, four of which are loaded with the Primary Avionics Software System (PASS), and one of which is loaded with the Backup Flight System (BFS). The Shuttle is nominally controlled by the PASS computers. However, in the event of a PASS generic software failure, the BFS is engaged and assumes control of the Shuttle. The BFS Sequencing System problems presented by the engage requirement and the solutions chosen by the developers are discussed. These solutions constitute a technique which can be applied to the design of any real-time backup system.

Jurica, K. E.↗
NASA NTRS2005

Optimizing observing sequence design for periodic and non-periodic phenomena : a Bayesian approach

In this paper we report on our progress on addressing these issues. We have developed an approximate expression for the uniformity of phase coverage that can be used when scheduling to assess candidate sample times. We describe the results obtained using this estimator, and compare them with detailed simulations. We describe our progress and plans for integrating optimizing criteria for both periodic and non-periodic observations into a single observation sequence.

Bayesian↗
NASA NTRS1973

Mariner Mars 1971 television picture catalog: Sequence design and picture coverage, volume 2, addendum 1

This addendum to the Mariner Mars 1971 Television Picture Catalog, Volume 2 (for abstract, see N73-20850) contains data for the Mariner 9 TV pictures taken after Rev 262. Some of the data presented in Volume 2 is brought up to date. The new provisional mapping pole is discussed, and tables provide the latitude and longitude with respect to the new pole, prime meridian, and rotation rate for the centerpoints of all the Mariner 9 TV pictures.

Koskela, P. E.↗
DOE OSTI2024

Merefa Community Microgrid: Conceptual Design and Sequence of Operations [Slides]

A conceptual design is described for a community microgrid in Ukraine. Microgrid resources include solar photovoltaics, battery energy storage, and conventional natural gas fueled reciprocating engine generators. The conceptual architecture was informed by the microgrid developer, NREL subject matter experts, and the application of REopt, an NREL-developed software tool created for identification of least-cost combination of resources for achieving cost savings, resilience, and renewable energy goals. The report includes conceptual architecture, estimates of key summary financial metrics, and sequence of operations.

14 SOLAR ENERGY↗
DOE OSTI2022

Designing sequence-defined peptoids for fibrillar self-assembly and silicification

In the biological environment, mineral crystals exquisitely controlled by biomacromolecules often show intricate hierarchical structures and superior mechanical properties. Among these biominerals, spicules, hybrid silica/protein superstructures serving as skeletal elements in demosponges, represent an excellent example for motivating the synthesis of silica materials. Herein, by designing sequence-defined peptoids containing side chains with a strong binding to silica, we demonstrated that self-assembly of these peptoids into fiber structures enables the mimicking of both biocatalytic and templating functions of silicatein filaments for the formation of silica fibers at near-neutral pH and ambient temperature. We further showed that the presence of amino groups is significant for the nucleation of silica on self-assembled peptoid nanofibers. Molecular dynamics simulation further confirmed that having silica-binding of amino side chains is critical for self-assembled peptoid fibers in triggering silica formation. Here, we demonstrated that tuning inter-peptoid interactions by varying carboxyl and amino side chains significantly influences the assembly kinetics and final morphologies of peptoid assemblies as scaffolds for directing silica mineralization to form silica spheres, fibers, and sheets. The formation of silica shell on peptoid fibers increased the mechanical property of peptoid hydrogel materials by nearly 1000-fold, highlighting the great potential of using silicification to enhance the mechanical property of hydrogel materials for applications including tissue engineering. Since peptoids are highly robust and programmable, we expect that self-assembly of peptoids containing solid-binding side chains into hierarchical materials opens new opportunities in the design and synthesis of highly tunable scaffolds that direct the formation of composite nanomaterials.

59 BASIC BIOLOGICAL SCIENCES↗