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Selective Elimination of Interactions: A Method for Assessing Thermodynamic Contributions to Ligand Binding with Application to Rhinovirus Antivirals
Wan F. Lau,
B. Montgomery Pettitt
Research output
:
Contribution to journal
›
Article
›
peer-review
11
Scopus citations
Overview
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Dive into the research topics of 'Selective Elimination of Interactions: A Method for Assessing Thermodynamic Contributions to Ligand Binding with Application to Rhinovirus Antivirals'. Together they form a unique fingerprint.
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INIS
interactions
100%
applications
100%
ligands
100%
thermodynamics
100%
free energy
66%
proteins
50%
hydrogen
50%
trajectories
33%
energy
33%
humans
16%
resources
16%
expenditures
16%
electrostatics
16%
van der waals forces
16%
potential energy
16%
binding energy
16%
Keyphrases
Selective Elimination
100%
Ligand System
66%
Pairwise Interaction
33%
Synthetic Targets
33%
Computational Resources
33%
Energy Contribution
33%
Interaction System
33%
Free Energy Difference
33%
Protein-ligand Complex
33%
Protein System
33%
Total Potential Energy
33%
Material Science
Protein
100%
Hydrogen Bonding
100%
Biochemistry, Genetics and Molecular Biology
Binding Energy
14%
Coat Protein
14%
Protein Ligand
14%
Chemistry
Potential Energy
20%