Concepedia

Structural and thermodynamic analysis of thrombin:suramin interaction in solution and crystal phases

Luís Maurício T. R. Lima, Camila Franco Becker, Guilherme Menegon Giesel, Adriana Marques, Maria Thereza Cargnelutti, Mário de Oliveira Neto, Robson Q. Monteiro, Hugo Verli, Igor Polikarpov

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics · 2009 · 24 citations · 51 references

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51

<i>Coot</i>: model-building tools for molecular graphics

Paul Emsley, Kevin Cowtan · Acta Crystallographica Section D Biological Crystallography · 2004 · 31.4K citations · Full text

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Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

, , +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

, , +13

PROCHECK: a program to check the stereochemical quality of protein structures

Roman A. Laskowski, Malcolm W. MacArthur, D. S. Moss et al. · Journal of Applied Crystallography · 1993 · 24.6K citations

, , +9

GROMACS: Fast, flexible, and free

David van der Spoel, Erik Lindahl, Berk Hess et al. · Journal of Computational Chemistry · 2005 · 19.1K citations

, , +17