β-sheet formation in BPTI(16–36) by Monte Carlo simulated annealing

Optimization by Simulated Annealing

Scott Kirkpatrick, C. D. Gelatt, M.P. Vecchi · Science · 1983 · 44.6K citations

Natural Sciences, Mathematics, Algorithms +10

Equation of State Calculations by Fast Computing Machines

N. Metropolis, Arianna W. Rosenbluth, M. N. Rosenbluth et al. · The Journal of Chemical Physics · 1953 · 37.1K citations

Computing, Computer Engineering, Computer Science +9

MOLSCRIPT: a program to produce both detailed and schematic plots of protein structures

P. Kraulis · Journal of Applied Crystallography · 1991 · 14.1K citations · Full text

Life Sciences, Biochemistry, Biophysics +12

Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids

Frank A. Momany, R. F. McGuire, Antony W. Burgess et al. · The Journal of Physical Chemistry · 1975 · 1.5K citations

Life Sciences, Biochemistry, Chemistry +16

Monte Carlo-minimization approach to the multiple-minima problem in protein folding.

Zhi Li, Harold A. Scheraga · Proceedings of the National Academy of Sciences · 1987 · 1.5K citations · Full text

Life Sciences, Biochemistry, Biophysics +17