Improved conformational space annealing method to treat β-structure with the UNRES force-field and to enhance scalability of parallel implementation
- 31 January 2004
- journal article
- Published by Elsevier BV in Polymer
- Vol. 45 (2), 677-686
- https://doi.org/10.1016/j.polymer.2003.10.081
Abstract
No abstract availableKeywords
This publication has 57 references indexed in Scilit:
- Derivation of a New Force Field for Crystal-Structure Prediction Using Global Optimization: Nonbonded Potential Parameters for Hydrocarbons and AlcoholsThe Journal of Physical Chemistry B, 2003
- A method for optimizing potential-energy functions by a hierarchical design of the potential-energy landscape: Application to the UNRES force fieldProceedings of the National Academy of Sciences, 2002
- Evolution of physics-based methodology for exploring the conformational energy landscape of proteinsJournal of Computational Chemistry, 2001
- TOUCHSTONE: An ab initio protein structure prediction method that uses threading-based tertiary restraintsProceedings of the National Academy of Sciences of the United States of America, 2001
- Optimization of Parameters in Macromolecular Potential Energy Functions by Conformational Space AnnealingThe Journal of Physical Chemistry B, 2001
- Development of Physics-Based Energy Functions that Predict Medium-Resolution Structures for Proteins of the α, β, and α/β Structural ClassesThe Journal of Physical Chemistry B, 2001
- From polypeptide sequences to structures using Monte Carlo simulations and an optimized potentialThe Journal of Chemical Physics, 1999
- The complexity and accuracy of discrete state models of protein structureJournal of Molecular Biology, 1995
- Optimization by Simulated AnnealingScience, 1983
- Principles that Govern the Folding of Protein ChainsScience, 1973