Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein–protein binding free energies and re-rank binding poses generated by protein–protein docking
Author:
Affiliation:
1. College of Pharmaceutical Sciences
2. Zhejiang University
3. Hangzhou
4. China
5. Institute of Functional Nano & Soft Materials (FUNSOM)
6. Soochow University
7. Suzhou
8. State Key Lab of CAD&CG
Abstract
Understanding protein–protein interactions (PPIs) is quite important to elucidate crucial biological processes and even design compounds that interfere with PPIs with pharmaceutical significance.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP03670H
Reference133 articles.
1. Prediction of protein-protein binding free energies
2. Evolution of protein interactions: From interactomes to interfaces
3. From workstations to workbenches: Towards predicting physicochemically viable protein-protein interactions across a host and a pathogen
4. Modulating Protein-Protein Interactions: From Structural Determinants of Binding to Druggability Prediction to Application
5. Targeting Protein-Protein Interactions with Small Molecules: Challenges and Perspectives for omputational Binding Epitope Detection and Ligand Finding
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