A Monte Carlo method for conformational analysis of saccharides

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

A new force field for molecular mechanical simulation of nucleic acids and proteins

Scott J. Weiner, Peter A. Kollman, David A. Case et al. · Journal of the American Chemical Society · 1984 · 4.6K citations

Natural Sciences, Biophysics, Molecular Biology +17

A Rapidly Convergent Descent Method for Minimization

R. Fletcher, M. J. D. Powell · The Computer Journal · 1963 · 4.6K citations · Full text

Computing, Computer Science, Mathematics +11

Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms

Norman L. Allinger · Journal of the American Chemical Society · 1977 · 3.6K citations

Natural Sciences, Chemistry, Analytical Chemistry +6