PLoS Biology · 2012 · 547 citations · 48 references
Life SciencesBioinformaticsBiophysicsComputational BiologyStructural BioinformaticsStructural BiologyAssembly ModelingComputational Structural BiologyMacromolecular AssemblyMacromolecular Assembly ModelingMacromolecular Structure DeterminationMolecular ModelingComputational OptimizationIntegrative ModelingIntegrative Structural DeterminationIntegrative Structural ModelingModel AssemblyMolecular Structure DeterminationScoring Function OptimizationStructure-based Models
A set of software tools for building and distributing models of macromolecular assemblies uses an integrative structure modeling approach, which casts the building of models as a computational optimization problem where information is encoded into a scoring function used to evaluate candidate models.
48
Helen M. Berman · Nucleic Acids Research · 2000 · 39.8K citations
Equation of State Calculations by Fast Computing Machines
N. Metropolis, Arianna W. Rosenbluth, M. N. Rosenbluth et al. · The Journal of Chemical Physics · 1953 · 37.1K citations
The PyMOL Molecular Graphics System
Warren L. DeLano · Medical Entomology and Zoology · 2002 · 18.1K citations