Concepedia
Structure · 2011 · 346 citations · 35 references
Open access
Natural SciencesBiophysicsChemistryComputational ChemistryStructural BiologyStructural BiophysicsConformational SamplingMolecular DynamicsProtein ConformationProtein StructureProtein Structure ModelingStructural RefinementProtein Conformational Sampling
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Fast Parallel Algorithms for Short-Range Molecular Dynamics
Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations
Computing, High-performance Computing, Physics +10
<i>MolProbity</i>: all-atom structure validation for macromolecular crystallography
Vincent B. Chen, W.B. Arendall, Jeffrey J. Headd et al. · Acta Crystallographica Section D Biological Crystallography · 2009 · 14.7K citations · Full text
Life Sciences, Bioinformatics, Biophysics +17
Comparative Protein Modelling by Satisfaction of Spatial Restraints
Andrej Šali, Tom L. Blundell · Journal of Molecular Biology · 1993 · 13.2K citations
Life Sciences, Biochemistry, Bioinformatics +11
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1995 · 13.1K citations
Natural Sciences, Biochemistry, Biophysics +17
I-TASSER: a unified platform for automated protein structure and function prediction
Ambrish Roy, Alper Küçükural, Yang Zhang · Nature Protocols · 2010 · 6.3K citations · Full text
Life Sciences, Biochemistry, Bioinformatics +10