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Improving the Physical Realism and Structural Accuracy of Protein Models by a Two-Step Atomic-Level Energy Minimization

Biophysical Journal · 2011 · Vol. 101(10) · pp. 2525–2534
Dong XuYang Zhang
Protein Structure and DynamicsEnzyme Structure and FunctionRNA and protein synthesis mechanismsEnergy minimizationAb initioComputer scienceChain (unit)MinificationConformational isomerismAlgorithmAtomic modelProtein structure predictionAtom (system on chip)

MeSH terms

AlgorithmsModels, MolecularProteinsThermodynamicsProtein Structure, SecondaryMolecular Dynamics Simulation
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References
Satisfying Hydrogen Bonding Potential in Proteins
Journal of Molecular Biology · 1994 · 2,130 citations
Equation of State Calculations by Fast Computing Machines
The Journal of Chemical Physics · 1953 · 36,613 citations
Comparative Protein Modelling by Satisfaction of Spatial Restraints
Journal of Molecular Biology · 1993 · 13,125 citations
Structure validation by Cα geometry: ϕ,ψ and Cβ deviation
Proteins Structure Function and Bioinformatics · 2003 · 4,581 citations
Improved prediction of protein side‐chain conformations with SCWRL4
Proteins Structure Function and Bioinformatics · 2009 · 1,364 citations
Scoring function for automated assessment of protein structure template quality
Proteins Structure Function and Bioinformatics · 2004 · 2,431 citations
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Improving the Physical Realism and Structural Accuracy of Protein Models by a Two-Step Atomic-Level Energy Minimization · Scinovex