Artificial intelligence to deep learning: machine intelligence approach for drug discovery

R Gupta, D Srivastava, M Sahu, S Tiwari, RK Ambasta… - Molecular …, 2021 - Springer
Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …

Protein‐protein interaction detection: methods and analysis

VS Rao, K Srinivas, GN Su**i… - International journal of …, 2014 - Wiley Online Library
Protein‐protein interaction plays key role in predicting the protein function of target protein
and drug ability of molecules. The majority of genes and proteins realize resulting …

Protein structure prediction with in-cell photo-crosslinking mass spectrometry and deep learning

K Stahl, A Graziadei, T Dau, O Brock… - Nature …, 2023 - nature.com
While AlphaFold2 can predict accurate protein structures from the primary sequence,
challenges remain for proteins that undergo conformational changes or for which few …

Updates to the integrated protein–protein interaction benchmarks: docking benchmark version 5 and affinity benchmark version 2

T Vreven, IH Moal, A Vangone, BG Pierce… - Journal of molecular …, 2015 - Elsevier
We present an updated and integrated version of our widely used protein–protein docking
and binding affinity benchmarks. The benchmarks consist of non-redundant, high-quality …

Predicting protein–protein interactions from the molecular to the proteome level

O Keskin, N Tuncbag, A Gursoy - Chemical reviews, 2016 - ACS Publications
Identification of protein–protein interactions (PPIs) is at the center of molecular biology
considering the unquestionable role of proteins in cells. Combinatorial interactions result in …

Structure-based prediction of protein–protein interactions on a genome-wide scale

QC Zhang, D Petrey, L Deng, L Qiang, Y Shi, CA Thu… - Nature, 2012 - nature.com
The genome-wide identification of pairs of interacting proteins is an important step in the
elucidation of cell regulatory mechanisms,. Much of our present knowledge derives from …

Protein-protein docking: From interaction to interactome

IA Vakser - Biophysical journal, 2014 - cell.com
The protein-protein docking problem is one of the focal points of activity in computational
biophysics and structural biology. The three-dimensional structure of a protein-protein …

Fundamentals of protein interaction network map**

J Snider, M Kotlyar, P Saraon, Z Yao… - Molecular systems …, 2015 - embopress.org
Studying protein interaction networks of all proteins in an organism (“interactomes”) remains
one of the major challenges in modern biomedicine. Such information is crucial to …

Prediction‐based fingerprints of protein–protein interactions

A Porollo, J Meller - Proteins: Structure, Function, and …, 2007 - Wiley Online Library
The recognition of protein interaction sites is an important intermediate step toward
identification of functionally relevant residues and understanding protein function, facilitating …

Predicting protein-protein interactions on a proteome scale by matching evolutionary and structural similarities at interfaces using PRISM

N Tuncbag, A Gursoy, R Nussinov, O Keskin - Nature protocols, 2011 - nature.com
Prediction of protein-protein interactions at the structural level on the proteome scale is
important because it allows prediction of protein function, helps drug discovery and takes …