Hot spots—A review of the protein–protein interface determinant amino‐acid residues

IS Moreira, PA Fernandes… - … : Structure, Function, and …, 2007 - Wiley Online Library
Proteins tendency to bind to one another in a highly specific manner forming stable
complexes is fundamental to all biological processes. A better understanding of complex …

Protein–protein docking dealing with the unknown

IS Moreira, PA Fernandes… - Journal of computational …, 2010 - Wiley Online Library
Protein–protein binding is one of the critical events in biology, and knowledge of proteic
complexes three‐dimensional structures is of fundamental importance for the biochemical …

Predicting the impact of missense mutations on protein–protein binding affinity

M Li, M Petukh, E Alexov… - Journal of chemical …, 2014 - ACS Publications
The crucial prerequisite for proper biological function is the protein's ability to establish
highly selective interactions with macromolecular partners. A missense mutation that alters …

Vascular endothelial growth factor (VEGF) inhibition-a critical review

I Sousa Moreira… - Anti-cancer agents in …, 2007 - ingentaconnect.com
Angiogenesis, or formation of new blood capillaries from preexisting vessels, plays both
beneficial and damaging roles in the organism. It is a result of a complex balance of positive …

MM–GBSA binding free energy decomposition and T cell receptor engineering

V Zoete, MB Irving, O Michielin - Journal of Molecular …, 2010 - Wiley Online Library
Recognition by the T‐cell receptor (TCR) of immunogenic peptides (p) presented by class I
major histocompatibility complexes (MHC) is the key event in the immune response against …

[PDF][PDF] SPRINGS: prediction of protein-protein interaction sites using artificial neural networks

G Singh, K Dhole, PP Pai, S Mondal - 2014 - peerj.com
Abstract Knowledge of protein-protein interaction sites provides an important base for
deciphering novel drug targets and applications of enzyme-based studies. But on account of …

Computational alanine scanning mutagenesis: MM-PBSA vs TI

SA Martins, MAS Perez, IS Moreira… - Journal of chemical …, 2013 - ACS Publications
Understanding protein–protein association and being able to determine the crucial residues
responsible for their association (hot-spots) is a key issue with huge practical applications …

A multiscale approach to predicting affinity changes in protein–protein interfaces

DFAR Dourado, SC Flores - Proteins: Structure, Function, and …, 2014 - Wiley Online Library
Substitution mutations in protein–protein interfaces can have a substantial effect on binding,
which has consequences in basic and applied biomedical research. Experimental …

Comparing experimental and computational alanine scanning techniques for probing a prototypical protein–protein interaction

RT Bradshaw, BH Patel, EW Tate… - … , Design & Selection, 2011 - academic.oup.com
The central role of protein–protein interactions in a wide range of cellular processes makes
them a target for research and drug discovery. A variety of methods, both experimental and …

An in-silico approach to identify the potential hot spots in SARS-CoV-2 spike RBD to block the interaction with ACE2 receptor

A Stalin, D Lin, B Senthamarai Kannan… - Journal of …, 2022 - Taylor & Francis
A novel acute viral pneumonia induced by SARS-CoV-2 exploded at the end of 2019,
causing a severe medical and economic crisis. For developing specific pharmacotherapy …