Protein folding kinetics: timescales, pathways and energy landscapes in terms of sequence-dependent properties

A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters

William C. Swope, Hans Christian Andersen, Peter H. Berens et al. · The Journal of Chemical Physics · 1982 · 3.9K citations

Engineering, Computational Chemistry, Chemistry +20

Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

Hans Christian Andersen · Journal of Computational Physics · 1983 · 3K citations

Shake Algorithm, Engineering, Physics +9

Funnels, pathways, and the energy landscape of protein folding: A synthesis

Joseph D. Bryngelson, José N. Onuchic, Nicholas D. Socci et al. · Proteins Structure Function and Bioinformatics · 1995 · 2.7K citations

Hidden structure in liquids

Frank H. Stillinger, Thomas A. Weber · Physical review. A, General physics · 1982 · 1.4K citations

Engineering, Liquid-liquid Flow, Gaussian Core Model +17

<i>Dynamics of Proteins and Nucleic Acids</i>

J. Andrew McCammon, Stephen C. Harvey, Peter G. Wolynes · Physics Today · 1988 · 1.3K citations

Single Molecule Biophysics, Molecular Sciences, Nucleic Acid Chemistry +14