Computational study of ligand binding to protein receptors
Author:
Publisher
Elsevier BV
Subject
Organic Chemistry,Drug Discovery,Molecular Biology,Biochemistry
Reference24 articles.
1. Ligand Preorganization May Be Accompanied by Entropic Penalties in Protein–Ligand Interactions
2. Conformational changes of small molecules binding to proteins
3. Conformational Analysis of Drug-Like Molecules Bound to Proteins: An Extensive Study of Ligand Reorganization upon Binding
4. Can thermodynamic measurements of receptor binding yield information on drug affinity and efficacy?
5. Solid-state NMR studies of weak interactions in supramolecular systems
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1. The reorganization energy of compounds upon binding to proteins, from dynamic and solvated bound and unbound states;Bioorganic & Medicinal Chemistry;2021-12
2. Conformational analysis of macrocycles: comparing general and specialized methods;Journal of Computer-Aided Molecular Design;2020-01-21
3. Energy windows for computed compound conformers: covering artefacts or truly large reorganization energies?;Future Medicinal Chemistry;2019-01
4. Towards understanding the unbound state of drug compounds: Implications for the intramolecular reorganization energy upon binding;Bioorganic & Medicinal Chemistry;2016-05
5. PDB Ligand Conformational Energies Calculated Quantum-Mechanically;Journal of Chemical Information and Modeling;2012-02-21
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