articleTop 10% cited
Avoiding singularities and numerical instabilities in free energy calculations based on molecular simulations
Chemical Physics Letters · 1994 · Vol. 222(6) · pp. 529–539
Thomas C. Beutler(ETH Zurich)Alan E. Mark(ETH Zurich)René C. van Schaik(Unilever (Netherlands))Paul R. Gerber(Roche (Switzerland))Wilfred F. van Gunsteren✉(ETH Zurich)
Protein Structure and DynamicsSpectroscopy and Quantum Chemical StudiesAdvanced Chemical Physics StudiesGravitational singularityStatistical physicsMolecular dynamicsSimple (philosophy)Monte Carlo methodPhysicsEnergy (signal processing)Classical mechanicsQuantum mechanicsMathematics
Citations
1,153
FWCI
2.61
field-weighted impact
References
17
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91%
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References
Statistical Mechanics of Fluid Mixtures
The Journal of Chemical Physics · 1935 · 3,432 citations
<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations
Journal of Computational Chemistry · 1983 · 14,885 citations
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