Advances in the calculation of binding free energies
Author:
Publisher
Elsevier BV
Subject
Molecular Biology,Structural Biology
Reference71 articles.
1. End-point binding free energy calculation with MM/PBSA and MM/GBSA: strategies and applications in drug design;Wang;Chem Rev,2019
2. Evaluation and characterization of Trk kinase inhibitors for the treatment of pain: reliable binding affinity predictions from theory and computation;Wan;J Chem Inf Model,2017
3. The impact of interior dielectric constant and entropic change on HIV-1 complex binding free energy prediction;Li;Struct Dyn,2018
4. Accurate and efficient calculation of protein–protein binding free energy-interaction entropy with residue type-specific dielectric constants;Liu;J Chem Inf Model,2019
5. Statistical analysis on the performance of molecular mechanics poisson–boltzmann surface area versus absolute binding free energy calculations: bromodomains as a case study;Aldeghi;J Chem Inf Model,2017
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