Predicting Binding Free Energy Change Caused by Point Mutations with Knowledge-Modified MM/PBSA Method
Petukh, Marharyta, Li, Minghui, Alexov, Emil·2015·PLOS Computational Biology
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- Predicting single mutation effects on binding affinity at protein-protein interfaces based on MMPBSA calculationsJakob Noske, Thibaud Lepoivre, Maxim Janzen, Birte Höcker · 2026 · bioRxiv (Cold Spring Harbor Laboratory)
- Gaussian accelerated molecular dynamics and free energy landscapes reveal the interaction of mangrove-derived Penicillium nitrogenous secondary metabolites with SARS-CoV-2 PLproMaram B. Alhawarri · 2026 · Chemical Papers