A new class of models for computing receptor-ligand binding affinities

scientific article published on February 1997

A new class of models for computing receptor-ligand binding affinities is …
instance of (P31):
review articleQ7318358
scholarly articleQ13442814

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P356DOI10.1016/S1074-5521(97)90251-9
P698PubMed publication ID9190290

P2093author name stringGilson MK
Given JA
Head MS
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P433issue2
P921main subjectligand bindingQ61659151
P304page(s)87-92
P577publication date1997-02-01
P1433published inChemistry and BiologyQ15758410
P1476titleA new class of models for computing receptor-ligand binding affinities
P478volume4

Reverse relations

cites work (P2860)
Q45050374Accuracy comparison of several common implicit solvent models and their implementations in the context of protein-ligand binding
Q42132116Calculation of absolute protein-ligand binding affinity using path and endpoint approaches
Q34187620Calculation of cyclodextrin binding affinities: energy, entropy, and implications for drug design
Q51914537Calculations of protein-ligand binding entropy of relative and overall molecular motions.
Q35917151Cellular quantitative structure-activity relationship (Cell-QSAR): conceptual dissection of receptor binding and intracellular disposition in antifilarial activities of Selwood antimycins
Q47829750Computational approaches to molecular recognition.
Q43115469Effects of protein conformation in docking: improved pose prediction through protein pocket adaptation
Q57492456Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges
Q47750928Function and structure-based screening of compounds, peptides and proteins to identify drug candidates.
Q40838519Future directions for combining molecular and continuum models in protein simulations
Q77796142How and why phosphotyrosine-containing peptides bind to the SH2 and PTB domains
Q35987132Modeling Protein-Ligand Binding by Mining Minima
Q37843834Molecular motions in drug design: the coming age of the metadynamics method
Q47131330Multi-physics interactions drive VEGFR2 relocation on endothelial cells.
Q37166094Path-integral method for predicting relative binding affinities of protein-ligand complexes.
Q52077262Scoring docked conformations generated by rigid-body protein-protein docking.
Q74633107Scoring functions: a view from the bench
Q35794917Statistical mechanics and molecular dynamics in evaluating thermodynamic properties of biomolecular recognition
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