[HTML][HTML] The chemistry of snake venom and its medicinal potential

AL Oliveira, MF Viegas, SL da Silva… - Nature Reviews …, 2022 - nature.com
The fascination and fear of snakes dates back to time immemorial, with the first scientific
treatise on snakebite envenoming, the Brooklyn Medical Papyrus, dating from ancient Egypt …

Protein–protein interactions: scoring schemes and binding affinity

MM Gromiha, K Yugandhar, S Jemimah - Current opinion in structural …, 2017 - Elsevier
Highlights•Reviewed scoring schemes and conformational sampling for protein–protein
complex structure prediction.•Discussed the database for binding affinity of complexes and …

Computational and biochemical characterization of two partially overlapping interfaces and multiple weak-affinity K-Ras dimers

P Prakash, A Sayyed-Ahmad, KJ Cho, DM Dolino… - Scientific reports, 2017 - nature.com
Recent studies found that membrane-bound K-Ras dimers are important for biological
function. However, the structure and thermodynamic stability of these complexes remained …

Computational close up on protein–protein interactions: how to unravel the invisible using molecular dynamics simulations?

C Rakers, M Bermudez, BG Keller… - Wiley …, 2015 - Wiley Online Library
As an essential part of many biological processes, protein–protein interactions (PPIs) offer
exciting and promising opportunities for drug discovery by extension of the druggable target …

Environmental enrichment reverses histone methylation changes in the aged hippocampus and restores age-related memory deficits

SJ Morse, AA Butler, RL Davis, IJ Soller, FD Lubin - Biology, 2015 - mdpi.com
A decline in long-term memory (LTM) formation is a common feature of the normal aging
process, which corresponds with abnormal expression of memory-related genes in the aged …

Simulated isotope exchange patterns enable protein structure determination

AJ Borysik - Angewandte Chemie International Edition, 2017 - Wiley Online Library
Understanding the myriad protein–protein interactions required for cell function requires
efficient leveraging of biophysical data to drive computational docking. The detailed insight …

Analysis and ranking of protein-protein docking models using inter-residue contacts and inter-molecular contact maps

R Oliva, E Chermak, L Cavallo - Molecules, 2015 - mdpi.com
In view of the increasing interest both in inhibitors of protein-protein interactions and in
protein drugs themselves, analysis of the three-dimensional structure of protein-protein …

Discovery of functional motifs from the interface region of oligomeric proteins using frequent subgraph mining

TK Saha, A Katebi, W Dhifli… - IEEE/ACM transactions …, 2017 - ieeexplore.ieee.org
Modeling the interface region of a protein complex paves the way for understanding its
dynamics and functionalities. Existing works model the interface region of a complex by …

Modeling and fitting protein-protein complexes to predict change of binding energy

DFAR Dourado, SC Flores - Scientific reports, 2016 - nature.com
It is possible to accurately and economically predict change in protein-protein interaction
energy upon mutation (ΔΔG), when a high-resolution structure of the complex is available …

[HTML][HTML] A novel strategy for molecular interfaces optimization: the case of ferritin-transferrin receptor interaction

L Di Rienzo, E Milanetti, C Testi, LC Montemiglio… - Computational and …, 2020 - Elsevier
Protein-protein interactions regulate almost all cellular functions and rely on a fine tune of
surface amino acids properties involved on both molecular partners. The disruption of a …