Recent progress and future directions in protein-protein docking

DW Ritchie - Current protein and peptide science, 2008 - ingentaconnect.com
This article gives an overview of recent progress in protein-protein docking and it identifies
several directions for future research. Recent results from the CAPRI blind docking …

Flexible protein–protein docking

AMJJ Bonvin - Current opinion in structural biology, 2006 - Elsevier
Predicting the structure of protein–protein complexes using docking approaches is a difficult
problem whose major challenges include identifying correct solutions, and properly dealing …

Assessment of CAPRI predictions in rounds 3–5 shows progress in docking procedures

R Méndez, R Leplae, MF Lensink… - … Structure, Function, and …, 2005 - Wiley Online Library
The current status of docking procedures for predicting protein–protein interactions starting
from their three‐dimensional (3D) structure is reassessed by evaluating blind predictions …

A combination of rescoring and refinement significantly improves protein docking performance

B Pierce, Z Weng - Proteins: Structure, Function, and …, 2008 - Wiley Online Library
To determine the structures of protein–protein interactions, protein docking is a valuable tool
that complements experimental methods to characterize protein complexes. Although …

WHISCY: what information does surface conservation yield? Application to data‐driven docking

SJ de Vries, ADJ van Dijk… - … : Structure, Function, and …, 2006 - Wiley Online Library
Protein–protein interactions play a key role in biological processes. Identifying the
interacting residues is a first step toward understanding these interactions at a structural …

Evolutionary conservation in multiple faces of protein interaction

YS Choi, JS Yang, Y Choi, SH Ryu… - … : Structure, Function, and …, 2009 - Wiley Online Library
Protein interfaces are believed to be evolutionarily more conserved than the rest of the
protein surface, but this has not been properly verified using a large protein structural set …

Understanding the fabric of protein crystals: computational classification of biological interfaces and crystal contacts

G Capitani, JM Duarte, K Baskaran, S Bliven… - …, 2016 - academic.oup.com
Modern structural biology still draws the vast majority of information from crystallography, a
technique where the objects being investigated are embedded in a crystal lattice. Given the …

Coevolution at protein complex interfaces can be detected by the complementarity trace with important impact for predictive docking

H Madaoui, R Guerois - Proceedings of the National …, 2008 - National Acad Sciences
Protein surfaces are under significant selection pressure to maintain interactions with their
partners throughout evolution. Capturing how selection pressure acts at the interfaces of …

Consensus scoring for enriching near‐native structures from protein–protein docking decoys

S Liang, SO Meroueh, G Wang, C Qiu… - Proteins: Structure …, 2009 - Wiley Online Library
The identification of near native protein–protein complexes among a set of decoys remains
highly challenging. A strategy for improving the success rate of near native detection is to …

Flexible relaxation of rigid‐body docking solutions

M Król, AL Tournier, PA Bates - Proteins: Structure, Function …, 2007 - Wiley Online Library
Molecular Dynamics (MD) simulations have been performed on a set of rigid‐body docking
poses, carried out over 25 protein–protein complexes. The results show that fully flexible …