AlphaFold, artificial intelligence (AI), and allostery

R Nussinov, M Zhang, Y Liu, H Jang - The Journal of Physical …, 2022 - ACS Publications
AlphaFold has burst into our lives. A powerful algorithm that underscores the strength of
biological sequence data and artificial intelligence (AI). AlphaFold has appended projects …

Intrinsically disordered proteins and their “mysterious”(meta) physics

VN Uversky - Frontiers in Physics, 2019 - frontiersin.org
Recognition of the natural abundance and functional importance of intrinsically disordered
proteins (IDPs), and protein hybrids that contain both intrinsically disordered protein regions …

Insights into protein–ligand interactions: mechanisms, models, and methods

X Du, Y Li, YL **-forward-with-confidence.pdf" data-clk="hl=sk&sa=T&oi=gga&ct=gga&cd=4&d=10030107941700826974&ei=Qz7CZ7HhCNWUieoPn7TdmQw" data-clk-atid="Xvfm-wcaMosJ" target="_blank">[PDF] csmres.co.uk

Molecular dynamics-driven drug discovery: lea** forward with confidence

A Ganesan, ML Coote, K Barakat - Drug discovery today, 2017 - Elsevier
Highlights•Currently, develo** a market-approved drug costs a staggering $2.6 billion.•In
silico methods have become an important strategy for narrowing down on promising lead …

[HTML][HTML] The hydrophobic effects: Our current understanding

Q Sun - Molecules, 2022 - mdpi.com
Hydrophobic interactions are involved in and believed to be the fundamental driving force of
many chemical and biological phenomena in aqueous environments. This review focuses …

Receptor–ligand molecular docking

IA Guedes, CS de Magalhães, LE Dardenne - Biophysical reviews, 2014 - Springer
Docking methodology aims to predict the experimental binding modes and affinities of small
molecules within the binding site of particular receptor targets and is currently used as a …

The role of protein loops and linkers in conformational dynamics and allostery

E Papaleo, G Saladino, M Lambrughi… - Chemical …, 2016 - ACS Publications
Proteins are dynamic entities that undergo a plethora of conformational changes that may
take place on a wide range of time scales. These changes can be as small as the rotation of …

Protein allostery and conformational dynamics

J Guo, HX Zhou - Chemical reviews, 2016 - ACS Publications
The functions of many proteins are regulated through allostery, whereby effector binding at a
distal site changes the functional activity (eg, substrate binding affinity or catalytic efficiency) …

Protein ensembles: how does nature harness thermodynamic fluctuations for life? The diverse functional roles of conformational ensembles in the cell

G Wei, W **, R Nussinov, B Ma - Chemical reviews, 2016 - ACS Publications
All soluble proteins populate conformational ensembles that together constitute the native
state. Their fluctuations in water are intrinsic thermodynamic phenomena, and the …