articleTop 10% cited
Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program
Computer Physics Communications · 1995 · Vol. 91(1-3) · pp. 57–95
Jeffry D. Madura✉(University of South Alabama)James M. Briggs(University of California, San Diego)Rebecca C. Wade(European Molecular Biology Laboratory)Malcolm E. Davis(Bristol-Myers Squibb (United States))Brock A. Luty(École Polytechnique Fédérale de Lausanne)Andrew Ilin(University of Houston)Jan Antosiewicz(University of California, San Diego)Michael K. Gilson(National Institute of Standards and Technology)Babak Bagheri(University of Houston)L. Ridgway Scott(University of Houston)J. Andrew McCammon(University of California, San Diego)
Protein Structure and DynamicsSpectroscopy and Quantum Chemical StudiesPhotosynthetic Processes and MechanismsBrownian dynamicsElectrostaticsBrownian motionMolecular dynamicsStatistical physicsDiffusionDynamics (music)PhysicsComputer scienceClassical mechanics
Citations
807
FWCI
9.33
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References
91
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99%
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References
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Mathematics of Computation · 1977 · 1,410 citations
The interpretation of protein structures: Estimation of static accessibility
Journal of Molecular Biology · 1971 · 5,866 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
pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model
Biochemistry · 1990 · 1,082 citations
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
Journal of Computational Physics · 1977 · 21,225 citations
On the calculation of p<i>K</i><sub>a</sub>s in proteins
Proteins Structure Function and Bioinformatics · 1993 · 510 citations
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