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Enhanced sampling techniques in molecular dynamics simulations of biological systems

Biochimica et Biophysica Acta (BBA) - General Subjects · 2014 · Vol. 1850(5) · pp. 872–877

Rafael C. Bernardi(University of Illinois Urbana-Champaign)Marcelo C. R. Melo(University of Illinois Urbana-Champaign)Klaus Schulten✉(University of Illinois Urbana-Champaign)

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Protein Structure and Dynamics Enzyme Structure and Function Mass Spectrometry Techniques and ApplicationsMetadynamicsMolecular dynamicsReplicaSimulated annealingMaxima and minimaSampling (signal processing)Computer scienceStatistical physicsBiological systemUmbrella sampling

MeSH terms

AlgorithmsCarbohydrate ConformationCarbohydratesLipidsNucleic Acid ConformationNucleic AcidsProtein ConformationProteinsStochastic ProcessesStructure-Activity RelationshipSurface PropertiesReproducibility of ResultsMolecular StructureCellulosomesMolecular Dynamics Simulation

Funding

National Science Foundation
Energy Biosciences Institute
National Centre for Supercomputing Applications
National Institutes of Health
Advanced Scientific Computing Research

Citations

757

FWCI

13.95

field-weighted impact

References

98

Percentile

99%

vs. same field & year

Citations per year

Cited by

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References

Predicting slow structural transitions in macromolecular systems: Conformational flooding

Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics · 1995 · 679 citations

Exchange Monte Carlo Method and Application to Spin Glass Simulations

Journal of the Physical Society of Japan · 1996 · 2,405 citations

Fast simulated annealing

Physics Letters A · 1987 · 1,080 citations

Optimization by Simulated Annealing

Science · 1983 · 44,165 citations

Replica-exchange molecular dynamics method for protein folding

Chemical Physics Letters · 1999 · 4,578 citations

The Monte Carlo Method

Journal of the American Statistical Association · 1949 · 5,963 citations

NAMD2: Greater Scalability for Parallel Molecular Dynamics

Journal of Computational Physics · 1999 · 2,436 citations

The Amber biomolecular simulation programs

Journal of Computational Chemistry · 2005 · 9,470 citations

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