Water as an active constituent in cell biology

P Ball - Chemical reviews, 2008 - ACS Publications
When Szent-Györgyi called water the “matrix of life”, 1 he was echoing an old sentiment.
Paracelsus in the 16th century said that “water was the matrix of the world and of all its …

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 …

[HTML][HTML] Hot spot-based design of small-molecule inhibitors for protein–protein interactions

W Guo, JA Wisniewski, H Ji - Bioorganic & medicinal chemistry letters, 2014 - Elsevier
Protein–protein interactions (PPIs) are important targets for the development of chemical
probes and therapeutic agents. From the initial discovery of the existence of hot spots at PPI …

A survey of available tools and web servers for analysis of protein–protein interactions and interfaces

N Tuncbag, G Kar, O Keskin, A Gursoy… - Briefings in …, 2009 - academic.oup.com
The unanimous agreement that cellular processes are (largely) governed by interactions
between proteins has led to enormous community efforts culminating in overwhelming …

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 …

[图书][B] Multivalency: concepts, research and applications

J Huskens, LJ Prins, R Haag, BJ Ravoo - 2018 - books.google.com
Connects fundamental knowledge of multivalent interactions with current practice and state-
of-the-art applications Multivalency is a widespread phenomenon, with applications …

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 …

Understanding the importance of the aromatic amino-acid residues as hot-spots

IS Moreira, JM Martins, RM Ramos… - … et Biophysica Acta (BBA …, 2013 - Elsevier
Protein–protein interactions (PPI) are crucial for the establishment of life. However, its basic
principles are still elusive and the recognition process is yet to be understood. It is important …

Computational Alanine Scanning Mutagenesis An Improved Methodological Approach for Protein–DNA Complexes

RM Ramos, IS Moreira - Journal of chemical theory and …, 2013 - ACS Publications
Proteins and protein-based complexes are the basis of many key systems in nature and
have been the subject of intense research in the last decades, in an attempt to acquire …

Using machine‐learning‐driven approaches to boost hot‐spot's knowledge

N Rosário‐Ferreira, AMJJ Bonvin… - Wiley Interdisciplinary …, 2022 - Wiley Online Library
Understanding protein–protein interactions (PPIs) is fundamental to describe and to
characterize the formation of biomolecular assemblies, and to establish the energetic …