[SMMP] A modern package for simulation of proteins
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Publication:5944557
DOI10.1016/S0010-4655(01)00197-7zbMath0980.92011WikidataQ58429998 ScholiaQ58429998MaRDI QIDQ5944557
Chin-Kun Hu, Frank Eisenmenger, Ulrich H. E. Hansmann, Shura Hayryan
Publication date: 7 March 2002
Published in: Computer Physics Communications (Search for Journal in Brave)
Probabilistic models, generic numerical methods in probability and statistics (65C20) Monte Carlo methods (65C05) Biochemistry, molecular biology (92C40) Computational methods for problems pertaining to biology (92-08)
Related Items (10)
A COMBINATION OF REPLICA EXCHANGE MONTE CARLO AND ENERGY LANDSCAPE PAVING ALGORITHMS TO INCREASE THE EFFECTIVENESS OF CONFORMATIONAL SAMPLING ⋮ Application of Wang-Landau sampling to a protein model using SMMP ⋮ Generalized ensemble techniques and protein folding simulations ⋮ CAVE: A package for detection and quantitative analysis of internal cavities in a system of overlapping balls: Application to proteins ⋮ Application of biased Metropolis algorithms: from protons to proteins ⋮ ARVO: A Fortran package for computing the solvent accessible surface area and the excluded volume of overlapping spheres via analytic equations ⋮ An enhanced version of SMMP-open-source software package for simulation of proteins ⋮ SMMP v. 3.0-simulating proteins and protein interactions in Python and Fortran ⋮ NUMERICAL COMPARISON OF WANG–LANDAU SAMPLING AND PARALLEL TEMPERING FOR MET-ENKEPHALIN ⋮ New algorithms and the physics of proteins
Uses Software
Cites Work
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- Optimization by Simulated Annealing
- Monte Carlo study of the interacting self-avoiding walk model in three dimensions.
- Possible generalization of Boltzmann-Gibbs statistics.
- Stochastic Relaxation, Gibbs Distributions, and the Bayesian Restoration of Images
- Equation of State Calculations by Fast Computing Machines
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