dMM-PBSA: a new HADDOCK scoring function for protein-peptide docking

dMM-PBSA: a new HADDOCK scoring function for protein-peptide docking

Molecular-docking programs coupled with suitable scoring functions are now established and very useful tools enabling computational chemists to rapidly screen large chemical databases and thereby to identify promising candidate compounds for further experimental processing. In a broader scenario, pr...

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Bibliographic Details
Main Authors: Dimitrios Spiliotopoulos, Panagiotis L Kastritis, Adrien Melquiond, Alexandre M.J.J. Bonvin, Giovanna Musco, Walter Rocchia, Andrea Spitaleri
Format: Article
Language:English
Published: Frontiers Media S.A. 2016-08-01
Series:Frontiers in Molecular Biosciences
Subjects:
protein-peotein interaction
binding free energies
haddock
MMPBSA
Scoring function
Online Access:http://journal.frontiersin.org/Journal/10.3389/fmolb.2016.00046/full

Internet

http://journal.frontiersin.org/Journal/10.3389/fmolb.2016.00046/full

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