Concepedia
Journal of Molecular Biology · 2005 · 136 citations · 46 references
Life SciencesBiochemistryPlant BiologyAllergyPlant Molecular BiologyStructural BiologyFood AllergensFood AllergyProtein StructureCrystal Structure PredictionCrystal Structure Refinement
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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 · 42.1K citations
Natural Sciences, Chemistry, Physics +17
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 · 30.7K citations · Full text
Natural Sciences, Chemistry, Physics +13
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 · 21.5K citations
Natural Sciences, Chemistry, Physics +11
The CCP4 suite: programs for protein crystallography
Number Collaborative Computational Project · Acta Crystallographica Section D Biological Crystallography · 1994 · 17.3K citations
Life Sciences, Biochemistry, Biophysics +15
Crystallography & NMR System: A New Software Suite for Macromolecular Structure Determination
Axel T. Brünger, Paul D. Adams, G. Marius Clore et al. · Acta Crystallographica Section D Biological Crystallography · 1998 · 15.8K citations
Natural Sciences, Biophysics, Chemistry +17