Interactions of Designer Antibiotics and the Bacterial Ribosomal Aminoacyl-tRNA Site

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 41.1K citations

Engineering, Liquid-liquid Flow, Fluid Mechanics +18

[20] Processing of X-ray diffraction data collected in oscillation mode

Zbyszek Otwinowski, W. Minor · Methods in enzymology on CD-ROM/Methods in enzymology · 1997 · 33.5K citations

X-ray Crystallography, Engineering, Physics +11

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 29.8K citations · Full text

Numerical Analysis, Engineering, Electrostatic Energies +18

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen · Journal of Computational Physics · 1977 · 21.1K citations

Numerical Analysis, Cartesian Equations, Engineering +11

The CCP4 suite: programs for protein crystallography

Number Collaborative Computational Project · Acta Crystallographica Section D Biological Crystallography · 1994 · 17.3K citations

X-ray Crystallography, Ccp4 Suite, Biochemistry +13