Interactive protein manipulation
Abstract
We describe an interactive visualization and modeling program for the creation of protein structures ''from scratch''. The input to our program is an amino acid sequence -decoded from a gene- and a sequence of predicted secondary structure types for each amino acid-provided by external structure prediction programs. Our program can be used in the set-up phase of a protein structure prediction process; the structures created with it serve as input for a subsequent global internal energy minimization, or another method of protein structure prediction. Our program supports basic visualization methods for protein structures, interactive manipulation based on inverse kinematics, and visualization guides to aid a user in creating ''good'' initial structures.
- Authors:
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Director. Office of Science. Office of AdvancedScientific Computing Research; National Science Foundation ContractACI-9624034 and ACI 9982251, National Institutes of Health Contract P20MH60975-06A2
- OSTI Identifier:
- 886595
- Report Number(s):
- LBNL-52414
R&D Project: K11107; BnR: KJ0101030; TRN: US0603968
- DOE Contract Number:
- DE-AC02-05CH11231
- Resource Type:
- Conference
- Resource Relation:
- Conference: IEEE Visualization 2003, Seattle, WA, September2003
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 12 MANAGEMENT OF RADIOACTIVE WASTES, AND NON-RADIOACTIVE WASTES FROM NUCLEAR FACILITIES; 60 APPLIED LIFE SCIENCES; AMINO ACID SEQUENCE; FORECASTING; MINIMIZATION; PROTEIN STRUCTURE; PROTEINS; SIMULATION; protein manipulation inverse kinematics
Citation Formats
gov, SNCrivelli@lbl. Interactive protein manipulation. United States: N. p., 2003.
Web.
gov, SNCrivelli@lbl. Interactive protein manipulation. United States.
gov, SNCrivelli@lbl. 2003.
"Interactive protein manipulation". United States. https://www.osti.gov/servlets/purl/886595.
@article{osti_886595,
title = {Interactive protein manipulation},
author = {gov, SNCrivelli@lbl},
abstractNote = {We describe an interactive visualization and modeling program for the creation of protein structures ''from scratch''. The input to our program is an amino acid sequence -decoded from a gene- and a sequence of predicted secondary structure types for each amino acid-provided by external structure prediction programs. Our program can be used in the set-up phase of a protein structure prediction process; the structures created with it serve as input for a subsequent global internal energy minimization, or another method of protein structure prediction. Our program supports basic visualization methods for protein structures, interactive manipulation based on inverse kinematics, and visualization guides to aid a user in creating ''good'' initial structures.},
doi = {},
url = {https://www.osti.gov/biblio/886595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 01 00:00:00 EDT 2003},
month = {Tue Jul 01 00:00:00 EDT 2003}
}