Free energies of ligand binding for structurally diverse compounds
Author:
Publisher
Proceedings of the National Academy of Sciences
Subject
Multidisciplinary
Reference36 articles.
1. Estimating the Relative Free Energy of Different Molecular States with Respect to a Single Reference State
2. Estimating relative free energies from a single ensemble: Hydration free energies
3. Simulations of the Estrogen Receptor Ligand-Binding Domain: Affinity of Natural Ligands and Xenoestrogens
4. One-Step Perturbation Methods for Solvation Free Energies of Polar Solutes
5. Single-step perturbations to calculate free energy differences from unphysical reference states: Limits on size, flexibility, and character
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