Prediction of peptide conformation by multicanonical algorithm: New approach to the multiple‐minima problem

Journal of Computational Chemistry

Volumn 14, Issue 11, 1993, Pages 1333-1338

  Hansmann, Ulrich H E ^a   Okamoto, Yuko ^b  

^a FLORIDA STATE UNIVERSITY   (United States)

^b SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOINFORMATICS; MONTE CARLO METHODS; PEPTIDES; POTENTIAL ENERGY; SIMULATED ANNEALING; SPECIFIC HEAT;

AVERAGE POTENTIAL; CANONICAL ENSEMBLE; ENERGY CONFORMATION; MINIMA PROBLEM; NEW APPROACHES; PEPTIDE CONFORMATION; TERTIARY STRUCTURES; THERMODYNAMIC QUANTITIES;

ALGORITHMS;

EID: 5244260010     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.540141110     Document Type: Article

References (42)

1. Crystallographic refinement by simulated annealing: application to crambin
2. High temperature annealed molecular dynamics simulations as a tool for conformational sampling. Application to the bicyclic ?222? cryptand
3. Efficient search for all low energy conformations of polypeptides by Monte Carlo methods
4. Multicanonical Study of the 3D Ising Spin Glass
5. Simulated Tempering: A New Monte Carlo Scheme
6. Intermolecular potentials from crystal data. 6. Determination of empirical potentials for O-H...O = C hydrogen bonds from packing configurations
7. A comparative study of the simulated-annealing and Monte Carlo-with-minimization approaches to the minimum-energy structures of polypeptides: [Met]-enkephalin