review Open AccessTop 1% cited
The statistical-thermodynamic basis for computation of binding affinities: a critical review
Biophysical Journal · 1997 · Vol. 72(3) · pp. 1047–1069
Michael K. Gilson✉(National Institute of Standards and Technology)James A. Given(National Institute of Standards and Technology)Bruce L. Bush(National Institute of Standards and Technology)J. Andrew McCammon(National Institute of Standards and Technology)
Spectroscopy and Quantum Chemical StudiesFree Radicals and Antioxidantsthermodynamics and calorimetric analysesAffinitiesBinding affinitiesChemistryStatistical physicsEntropy (arrow of time)Statistical mechanicsBinding energyComputationThermodynamicsFormalism (music)
MeSH terms
Binding SitesLigandsModels, ChemicalModels, StructuralPotentiometryProtein ConformationProteinsSolutionsSolventsThermodynamicsModels, StatisticalEntropy
Citations
1,252
FWCI
20.96
field-weighted impact
References
45
Percentile
100%
vs. same field & year
Citations per year
Cited by
Insights into Protein–Ligand Interactions: Mechanisms, Models, and Methods
International Journal of Molecular Sciences · 2016 · 1,559 citations
Hot spots—A review of the protein–protein interface determinant amino‐acid residues
Proteins Structure Function and Bioinformatics · 2007 · 744 citations
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
Journal of Computational Chemistry · 2009 · 35,688 citations
CHARMM: The biomolecular simulation program
Journal of Computational Chemistry · 2009 · 8,960 citations
Role of Molecular Dynamics and Related Methods in Drug Discovery
Journal of Medicinal Chemistry · 2016 · 1,209 citations
References
Proteins under pressure
European Journal of Biochemistry · 1994 · 693 citations
Citation Network
How this paper connects to the literature. Drag to explore, click any node to open that paper.
