Scalable multiplex co-fractionation/mass spectrometry platform for accelerated protein interactome discovery

PC Havugimana, RK Goel, S Phanse, A Youssef… - Nature …, 2022 - nature.com
Co-fractionation/mass spectrometry (CF/MS) enables the mapping of endogenous
macromolecular networks on a proteome scale, but current methods are experimentally …

The ClusPro AbEMap web server for the prediction of antibody epitopes

IT Desta, S Kotelnikov, G Jones, U Ghani, M Abyzov… - Nature protocols, 2023 - nature.com
Antibodies play an important role in the immune system by binding to molecules called
antigens at their respective epitopes. These interfaces or epitopes are structural entities …

Improved docking of protein models by a combination of alphafold2 and cluspro

U Ghani, I Desta, A Jindal, O Khan, G Jones… - BioRxiv, 2021 - biorxiv.org
It has been demonstrated earlier that the neural network based program AlphaFold2 can be
used to dock proteins given the two sequences separated by a gap as the input. The …

In silico study of some selective phytochemicals against a hypothetical SARS-CoV-2 spike RBD using molecular docking tools

A Nag, S Paul, R Banerjee, R Kundu - Computers in Biology and Medicine, 2021 - Elsevier
Background This world is currently witnessing a pandemic outbreak of 'COVID-19′ caused
by a positive-strand RNA virus 'SARS-CoV-2'. Millions have succumbed globally to the …

[HTML][HTML] Information-driven modeling of biomolecular complexes

CW van Noort, RV Honorato, AMJJ Bonvin - Current Opinion in Structural …, 2021 - Elsevier
Proteins play crucial roles in every cellular process by interacting with each other, nucleic
acids, metabolites, and other molecules. The resulting assemblies can be very large and …

Protein–protein and protein–peptide docking with ClusPro server

A Alekseenko, M Ignatov, G Jones, M Sabitova… - Protein Structure …, 2020 - Springer
The process of creating a model of the structure formed by a pair of interacting molecules is
commonly referred to as docking. Protein docking is one of the most studied topics in …

Multi-level bioinformatics resources support drug target discovery of protein–protein interactions

JX Liu, X Zhang, YQ Huang, GF Hao, GF Yang - Drug Discovery Today, 2024 - Elsevier
Drug discovery often begins with a new target. Protein–protein interactions (PPIs) are crucial
to multitudinous cellular processes and offer a promising avenue for drug-target discovery …

Evaluation and Improvement of Genome-Wide Human Protein-Protein Interaction Prediction

B Dunham - 2023 - d-scholarship.pitt.edu
Background: Proteins are biological macromolecules that interact with each other,
performing various functions and regulate many biological processes, making them vital to …

[PDF][PDF] Fragment-based modelling of protein-RNA complexes for protein design

A Kravchenko - 2023 - theses.hal.science
3.2. 1 Coarse-Grained Representation ssRNA'TTRACT uses a coarse-grained
representation and a knowledge-based scoring function [168, 257, 256]. Each amino acid is …

Detection and analysis of binding sites and protein-ligand interactions

ME Egbert - 2022 - search.proquest.com
Detection and analysis of protein-ligand binding sites is an important area of research in
drug discovery. The FTMap web server is an established computational method for detection …