(Q29028393)

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Analyzing biased Monte Carlo and molecular dynamics simulations

scientific article (publication date: December 2000)

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Analyzing biased Monte Carlo and molecular dynamics simulations (English)

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https://doi.org/10.1016%2FS0009-2614%2800%2901215-X

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molecular dynamics simulation

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Christian Bartels

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publication date

December 2000

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Chemical Physics Letters

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volume

331

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5-6

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446-454

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THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

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Binding of an antiviral agent to a sensitive and a resistant human rhinovirus. Computer simulation studies with sampling of amino acid side-chain conformation. I. Mapping the rotamers of residue 188 of viral protein 1.

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Multidimensional adaptive umbrella sampling: Applications to main chain and side chain peptide conformations

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Specific amino acid recognition by aspartyl-tRNA synthetase studied by free energy simulations 1 1A. R. Fersht

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Optimized Monte Carlo data analysis

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10.1016/S0009-2614(00)01215-X

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(Q29028393)

Analyzing biased Monte Carlo and molecular dynamics simulations

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