On the use of orientational restraints and symmetry corrections in alchemical free energy calculations
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2221683
Reference51 articles.
1. Inclusion of Loss of Translational and Rotational Freedom in Theoretical Estimates of Free Energies of Binding. Application to a Complex of Benzene and Mutant T4 Lysozyme
2. Modeling protein-small molecule interactions: structure and thermodynamics of noble gases binding in a cavity in mutant phage T4 Lysozyme L99A
3. Absolute Binding Free Energies: A Quantitative Approach for Their Calculation
4. Direct calculation of the binding free energies of FKBP ligands
5. Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: a molecular dynamics free energy perturbation study
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