Advertisement

Browse Subject Areas

?

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

For more information about PLOS Subject Areas, click here.

Binding analysis

In-silico identification of anti-cholera phytochemicals from Indian medicinal plants

Khalilur Rahman, Yasmin Akter, Md Selim Reza, Md. Al Amin Pappu, Md. Rezaul Karim, Marzia Sultana, Mohammad Tarequl Islam, Munirul Alam, Md Nurul Haque Mollah, Md. Mamun Monir

published 02 Feb 2026

Loading metrics information...

Metrics unavailable. Please check back later.

Multi-objective QSAR prediction of ERα antagonists via SHAP-based interpretation

Jinhui Cao, Yanli Liu

published 08 Jan 2026

Loading metrics information...

Metrics unavailable. Please check back later.

Structural engineering, BSA binding and computational analysis of isonipacotate based enzyme inhibitors containing 1,2,4-triazole

Naeem A. Virk, Aziz-ur-Rehman, Javed Iqbal, Tahir Ali Chohan, Abdullah R. Alzahrani, Talha Jawaid, Zia Ur Rehman, Abida Khan

published 07 Jan 2026

Loading metrics information...

Metrics unavailable. Please check back later.

Computational identification of epifriedelanol and derived analogs from Mikania cordata as potential HMG-CoA reductase inhibitors

Miruna Banu, Sheikh Sunzid Ahmed, Momtaz Begum, M. Oliur Rahman

published 06 Jan 2026

Loading metrics information...

Metrics unavailable. Please check back later.

Molecular docking and MD simulations predicted quercetin as a potent human interleukin-1 beta (hIL1β) inhibitor for improved endodontic disease management

Nezar Boreak, Shroog Ali Almasoudi, Abdulelah Alharbi, Mona Judayba, Shahd Tahrei, Atyaf Abu eishah, Taghreed Ahmed Madkhali, Mashael Ali Hattan, Maryam Hassan Majrashi, Huda Ali Daak, Amani Hakami

published 10 Dec 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Characterization of p53 p.T253I as a pathogenic mutation underlying Li-Fraumeni Syndrome

Nathaniel C. Holcomb, Amanda M. Harrington, Hong Pu, Berina Halilovic, Nathan R. Shelman, Shulin Zhang, Catherine Sears, Terra Armstrong, Brent Shelton, Lauren Corum, John A. D'Orazio

published 05 Dec 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Unveiling of phosphodiesterase-5 hot residues binding to xanthine derivatives for erectile dysfunction therapy: A computational drug repurposing approach

Amin O. Elzupir, Sondos A. J. Almahmoud

published 13 Nov 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Targeting MERTK tyrosine kinase: Virtual screening and molecular dynamics insights for anti-cancer drug development

Kashif Kifayat, Kamaljot Singh, Mahmood Khan, Dur E. Maknoon Razia, Sara Khan, Chengyong Dong, Liming Wang

published 30 Oct 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Prediction of immunogenicity of Rh antigens using in silico analysis of binding to human leukocyte antigen peptide, Basic/Translational Research

Hee-Jeong Youk, Yong-Joon Cho, Yong-Hyun Han, Seong Who Kim, Dae-Hyun Ko

published 27 Oct 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Exploration of African natural products as VP35 inhibitors to combat Marburg virus infection: Molecular docking, molecular dynamics, and quantum mechanical computations

Alaa H. M. Abdelrahman, Gamal A. H. Mekhemer, Peter A. Sidhom, Mohamed A. El-Tayeb, Shahzeb Khan, Mahmoud A. A. Ibrahim

published 24 Oct 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Exploring β-catenin and TCF4 interaction in complex environments by means of novel biosensing platform focal molography

Philipp Cedro, Roman Popov, Maxime Karrer, Jean-Christophe Hau, Eric-André Kusznir, Ralf Thoma, Andreas Frutiger, Matthias Lauer, Sylwia Huber

published 30 Sep 2025

Loading metrics information...

Metrics unavailable. Please check back later.

New chalcone compound exhibits microrna-mediated anticancer properties in glioblastoma

Denis Mustafov, Shoib S. Siddiqui, Shagufta , Irshad Ahmad, Joanne Charlton, Jim Gkantalis, Patricia Rodriguez, Maria Braoudaki

published 26 Sep 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Production of recombinant human G protein-coupled estrogen receptor (GPER) and establishment of a ligand binding assay using graphene quantum dots (GQDs)

Shakhawat Hossain, Md. Forhad Hossain, Md. Sohanur Rahman Sohan, Yuki Omori, Mohammad Tohidul Amin, Toshinobu Tokumoto

published 19 Sep 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Advertisement

Create a weekly email alert for: Binding analysis

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