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The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
Samuel Genheden,
Ulf Ryde
Computational Chemistry
Research output
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Contribution to journal
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Review article
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peer-review
1155
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Biochemistry, Genetics and Molecular Biology
Energy
100%
Ligand Binding
100%
Binding Affinity
100%
Solvation
66%
Screening
33%
Dynamics
33%
Training
33%
Eicosanoid Receptor
33%
Binding Site
33%
Macromolecule
33%
Chemistry
Procedure
100%
Ligand
100%
Kd
100%
Number
28%
Gibbs Free Energy
28%
Energy
14%
Water Type
14%
Molecule
14%
Force Field
14%
Entropy
14%
Molecular Dynamics
14%
Crudity
14%
Pharmacology, Toxicology and Pharmaceutical Science
Receptor
25%
Binding Site
25%
Virtual Screening
25%