articleTop 10% cited
AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules
Computer Physics Communications · 1995 · Vol. 91(1-3) · pp. 1–41
David A. Pearlman(Vertex Pharmaceuticals (United States))David A. Case(Scripps Research Institute)James W. Caldwell(University of California, San Francisco)Wilson S. Ross(University of California, San Francisco)Thomas E. Cheatham(University of California, San Francisco)Steve DeBolt(Scripps Research Institute)David M. Ferguson(University of Minnesota)George Seibel(New Frontier)Peter A. Kollman✉(University of California, San Francisco)
Protein Structure and DynamicsAdvanced Chemical Physics StudiesMolecular spectroscopy and chiralityMolecular dynamicsComputer scienceStatistical physicsEnergy (signal processing)Computational scienceComputer programDevelopment (topology)Computational chemistryPhysicsChemistry
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References
Comparison of simple potential functions for simulating liquid water
The Journal of Chemical Physics · 1983 · 41,376 citations
A new force field for molecular mechanical simulation of nucleic acids and proteins
Journal of the American Chemical Society · 1984 · 4,632 citations
General definition of ring puckering coordinates
Journal of the American Chemical Society · 1975 · 7,149 citations
Method for estimating the configurational entropy of macromolecules
Macromolecules · 1981 · 860 citations
Molecular dynamics with coupling to an external bath
The Journal of Chemical Physics · 1984 · 30,535 citations
The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin
Journal of the American Chemical Society · 1988 · 4,984 citations
The effects of solvent on the conformation and the collective motions of protein: Normal mode analysis and molecular dynamics simulations of melittin in water and in vacuum
Chemical Physics · 1991 · 391 citations
Molecular mechanics. The MM3 force field for hydrocarbons. 1
Journal of the American Chemical Society · 1989 · 2,801 citations
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