Studying the affinity and kinetics of molecular association with molecular-dynamics simulation
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1530162
Reference13 articles.
1. The statistical-thermodynamic basis for computation of binding affinities: a critical review
2. Theory of biomolecular recognition
3. Computational Methods to Predict Binding Free Energy in Ligand-Receptor Complexes
4. Computational approaches to molecular recognition
5. Nearest-neighbor distribution functions in many-body systems
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