Advertisement

Browse Subject Areas

?

Click through the PLOS taxonomy to find articles in your field.

For more information about PLOS Subject Areas, click here.

Protein interactions

Exploring the most promising anti ‐ Depressant drug targeting Microtubule Affinity Receptor Kinase 4 involved in Alzheimer’s Disease through molecular docking and molecular dynamics simulation

S. Rehan Ahmad, Md. Zeyaullah, [ ... ], Abdelrhman A. G. Altijani

Identification of potent inhibitors of HDAC2 from herbal products for the treatment of colon cancer: Molecular docking, molecular dynamics simulation, MM/GBSA calculations, DFT studies, and pharmacokinetic analysis

Madan Khanal, Arjun Acharya, [ ... ], Hari Prasad Lamichhane

Computational evaluation of efflux pump homologues and lignans as potent inhibitors against multidrug-resistant Salmonella typhi

Iqra Shafique, Mehak Rafiq, [ ... ], Tahreem Tanweer

Unrevealing the multitargeted potency of 3-1-BCMIYPPA against lung cancer structural maintenance and suppression proteins through pharmacokinetics, QM-DFT, and multiscale MD simulation studies

Mohammed Ali Alshehri, Saeed A. Asiri, [ ... ], Mohammad Azhar Kamal

In-silico identification of deleterious non-synonymous SNPs of TBX1 gene: Functional and structural impact towards 22q11.2DS

Maitha Almakhari, Yan Chen, [ ... ], Sathiya Maran

Exploration of Type III effector Xanthomonas outer protein Q (XopQ) inhibitor from Picrasma quassioides as an antibacterial agent using chemoinformatics analysis

Prasanna D. Revanasiddappa, H. G. Gowtham, [ ... ], Kestur Nagaraj Amruthesh

A computational approach to identify phytochemicals as potential inhibitor of acetylcholinesterase: Molecular docking, ADME profiling and molecular dynamics simulations

Mahir Azmal, Md. Sahadot Hossen, [ ... ], Ajit Ghosh

An integrated in-silico approach for drug target identification in human pathogen Shigella dysenteriae

Hurria Qureshi, Amina Basheer, [ ... ], Syed Babar Jamal

The molecular interaction of six single-stranded DNA aptamers to cardiac troponin I revealed by docking and molecular dynamics simulation

Bejo Ropii, Maulidwina Bethasari, [ ... ], Muhammad Aziz

Computational investigation of cis-1,4-polyisoprene binding to the latex-clearing protein LcpK30

Aziana Abu Hassan, Marko Hanževački, Anca Pordea

The small iron-deficiency-induced protein OLIVIA and its relation to the bHLH transcription factor POPEYE

Daniela M. Lichtblau, Dibin Baby, [ ... ], Petra Bauer

Stochastic modeling of a gene regulatory network driving B cell development in germinal centers

Alexey Koshkin, Ulysse Herbach, [ ... ], Fabien Crauste

Towards explainable interaction prediction: Embedding biological hierarchies into hyperbolic interaction space

Domonkos Pogány, Péter Antal

Advertisement

Create a weekly email alert for: Protein interactions

You can change these options by clicking profile then "Alerts and Notifications"