SpotOn: high accuracy identification of protein-protein interface hot-spots

IS Moreira, PI Koukos, R Melo, JG Almeida, AJ Preto… - Scientific reports, 2017 - nature.com
We present SpotOn, a web server to identify and classify interfacial residues as Hot-Spots
(HS) and Null-Spots (NS). SpotON implements a robust algorithm with a demonstrated …

Dual-capped helical interface mimics

T Mi, Z Gao, Z Mituta, K Burgess - Journal of the American …, 2024 - ACS Publications
Disruption of protein–protein interactions is medicinally important. Interface helices may be
mimicked in helical probes featuring enhanced rigidities, binding to protein targets …

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 …

SARS-CoV-2 membrane protein: from genomic data to structural new insights

C Marques-Pereira, MN Pires, RP Gouveia… - International Journal of …, 2022 - mdpi.com
Severe Acute Respiratory Syndrome CoronaVirus-2 (SARS-CoV-2) is composed of four
structural proteins and several accessory non-structural proteins. SARS-CoV-2's most …

A machine learning approach for hot-spot detection at protein-protein interfaces

R Melo, R Fieldhouse, A Melo, JDG Correia… - International journal of …, 2016 - mdpi.com
Understanding protein-protein interactions is a key challenge in biochemistry. In this work,
we describe a more accurate methodology to predict Hot-Spots (HS) in protein-protein …

Protein binding hot spots prediction from sequence only by a new ensemble learning method

SS Hu, P Chen, B Wang, J Li - Amino acids, 2017 - Springer
Hot spots are interfacial core areas of binding proteins, which have been applied as targets
in drug design. Experimental methods are costly in both time and expense to locate hot spot …

The role of water occlusion for the definition of a protein binding hot-spot

IS Moreira - Current topics in medicinal chemistry, 2015 - ingentaconnect.com
Biological systems rely on the establishment of interactions between biomolecules, which
take place in the aqueous environment of the cell. It was already demonstrated that a small …

The interaction capabilities of phytoconstituents of ethanolic seed extract of cumin (Cuminum cyminum L.) with HMG‐CoA reductase to subside the …

H Chouhan, A Purohit, H Ram, S Chowdhury… - Food …, 2022 - Wiley Online Library
The aim of this study was to evaluate hypocholesterolemic potential of phytoconstituents of
ethanolic seed extract of cumin (Cuminum cyminum L.) by assessments of interaction …

Solvent accessible surface area-based hot-spot detection methods for protein–protein and protein–nucleic acid interfaces

CR Munteanu, AC Pimenta… - Journal of chemical …, 2015 - ACS Publications
Due to the importance of hot-spots (HS) detection and the efficiency of computational
methodologies, several HS detecting approaches have been developed. The current paper …

Node-weighted amino acid network strategy for characterization and identification of protein functional residues

W Yan, G Hu, Z Liang, J Zhou, Y Yang… - Journal of chemical …, 2018 - ACS Publications
The study of functional residues (FRs) is essential for understanding protein functions and
biological processes. The amino acid network (AAN) has become an emerging paradigm for …