Free-Energy Landscape of the Villin Headpiece in an All-Atom Force Field

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

Principles that Govern the Folding of Protein Chains

Christian B. Anfinsen · Science · 1973 · 7.1K citations

Life Sciences, Biochemistry, Biophysics +17

Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

The Journal of Physical Chemistry A · 1997 · 3K citations · Full text

Natural Sciences, Chemistry, Physics +16

Global optimization by basin-hopping and the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms

Oxford University Research Archive (ORA) (University of Oxford) · 1997 · 2.2K citations

Natural Sciences, Chemistry, Physics +16