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Title: STALK users guide

Abstract

STALK is a system that models molecular docking between two proteins. A problem is posed as an optimization problem where the objective is to minimize the free energy of the molecular system by maximizing the intermolecular interaction energy between the molecules. The possible number of conformations between the two molecules can be very large. A parallel genetic algorithm (GA) is used to explore the conformation space and identify the low-energy molecular configurations. The CAVE, a virtual reality environment, can be used to visualize and interact with the systems while it is executing.

Authors:
 [1];  [2]; ; ;  [3];  [4]
  1. Argonne National Lab., IL (United States). Mathematics and Computer Science Div.
  2. Illinois Univ., Urbana, IL (United States). Dept. of Computer Science
  3. Argonne National Lab., IL (United States)
  4. Argonne National Lab., IL (United States). Center for Mechanistic Biology and Biotechnology
Publication Date:
Research Org.:
Argonne National Lab., IL (United States). Mathematics and Computer Science Div.
Sponsoring Org.:
USDOE, Washington, DC (United States)
OSTI Identifier:
379000
Report Number(s):
ANL/MCS-TM-214
ON: DE96014266
DOE Contract Number:  
W-31109-ENG-38
Resource Type:
Technical Report
Resource Relation:
Other Information: PBD: Jul 1996
Country of Publication:
United States
Language:
English
Subject:
55 BIOLOGY AND MEDICINE, BASIC STUDIES; 99 MATHEMATICS, COMPUTERS, INFORMATION SCIENCE, MANAGEMENT, LAW, MISCELLANEOUS; AMINO ACID SEQUENCE; S CODES; PROTEIN ENGINEERING; PROTEINS; MOLECULES; MOLECULAR BIOLOGY; MANUALS; INTERMOLECULAR FORCES; MATHEMATICAL MODELS; COMPUTERIZED SIMULATION

Citation Formats

Levine, D, Facello, M, Hallstrom, P, Reeder, G, Walenz, B, and Stevens, F. STALK users guide. United States: N. p., 1996. Web. doi:10.2172/379000.
Levine, D, Facello, M, Hallstrom, P, Reeder, G, Walenz, B, & Stevens, F. STALK users guide. United States. https://doi.org/10.2172/379000
Levine, D, Facello, M, Hallstrom, P, Reeder, G, Walenz, B, and Stevens, F. 1996. "STALK users guide". United States. https://doi.org/10.2172/379000. https://www.osti.gov/servlets/purl/379000.
@article{osti_379000,
title = {STALK users guide},
author = {Levine, D and Facello, M and Hallstrom, P and Reeder, G and Walenz, B and Stevens, F},
abstractNote = {STALK is a system that models molecular docking between two proteins. A problem is posed as an optimization problem where the objective is to minimize the free energy of the molecular system by maximizing the intermolecular interaction energy between the molecules. The possible number of conformations between the two molecules can be very large. A parallel genetic algorithm (GA) is used to explore the conformation space and identify the low-energy molecular configurations. The CAVE, a virtual reality environment, can be used to visualize and interact with the systems while it is executing.},
doi = {10.2172/379000},
url = {https://www.osti.gov/biblio/379000}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 01 00:00:00 EDT 1996},
month = {Mon Jul 01 00:00:00 EDT 1996}
}