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

An efficient ranking deep neural network algorithm for the prediction of Ca²⁺ binding sites of the protein

Pritee Parwekar, Samudrala Gourinath, Jaishree Jain, Shilpa Gundagatti, Jabir Ali, Punit Gupta, Asmir Butkovic

published 13 Aug 2026

Loading metrics information...

Metrics unavailable. Please check back later.

From structural insight to molecule: Integrative molecular simulations identify candidate pyruvate kinase activators

Doni Dermawan, Nasser Alotaiq

published 12 Aug 2026

Loading metrics information...

Metrics unavailable. Please check back later.

Long noncoding RNA Gpr137b-ps mediates 15-PGDH-induced angiogenesis in brain microvasculature following tMCAO in mice

Di Wang, Guojian Zhang, Haiyan Gou, Yawei Wang, Wenye Liang, Yangyue Cao, Yujuan Jiao

published 24 Jul 2026

Loading metrics information...

Metrics unavailable. Please check back later.

Binding Affinity Ranking at the Molecular Initiating Event (BARMIE): An open-source computational pipeline for the rapid screening of chemical interactions with steroid receptors from many species

Fernando Calahorro, Parsa Fouladi, Alessandro Pandini, Matloob Khushi, Yogendra Gaihre, Nic R. Bury

published 15 Jul 2026

Loading metrics information...

Metrics unavailable. Please check back later.

Molecular modeling of highly selective CDK1 Inhibitors based on pyrazolo-pyrimidines using 3D-QSAR, docking, and molecular dynamics simulations

Muhammad Afaq Tahir, Tahir Ali Chohan, Aisha Qayyum, Abdullah Yahya Abdullah Alzahrani, Abdullah R. Alzahrani, Zia Ur Rehman, Abida Khan, Khuram Ashfaq

published 22 Jun 2026

Loading metrics information...

Metrics unavailable. Please check back later.

In silico characterization of bioactive phytochemicals as antivirals targeting the reovirus σ1 protein for inhibiting σ1-mediated host cell entry

Eitu Dey, Shipon Dey, Leu Nandi, Sayed Huzaifa Mumit, Refatul Arfat, Saifur Rahman Saif, Md. Monirul Islam

published 03 Jun 2026

Loading metrics information...

Metrics unavailable. Please check back later.

In silico pharmacological analysis of Tinospora cordifolia compounds targeting African swine fever virus B175L

Kasuni Karunarathne, Saumya Poorni, Nethra Jayampathi, Hasitha Dhananjaya, Anju Hasintha, Malinda Hulugalla, Thilini A.N. Mahakapuge, Nadeeka Nethmini, Naveed Iqbal, Barana Jayawardana, Lakmal Ranathunga

published 03 Jun 2026

Loading metrics information...

Metrics unavailable. Please check back later.

In-silico identification and optimization of MMP-9 inhibitors for cerebral ischemia using structure based virtual screening, MD simulation, and binding free energy calculations

Jian Zhang, Beibei Zhang, Haisong Feng, Chongxiao Sheng

published 14 May 2026

Loading metrics information...

Metrics unavailable. Please check back later.

EGFR-targeted affibody–polyIC polyplex kills EGFR-overexpressing cancer cells without activating the EGFR

Anne Pettikiriarachchi, Yelena Ugolev, Richard Birkinshaw, Ahmad Wardak, Maree C. Faux, Timothy E. Adams, Salim Joubran, Alexei Shir, Nufar Edinger, Maya Zigler, Alexander Levitzki, Antony W. Burgess

published 05 May 2026

Loading metrics information...

Metrics unavailable. Please check back later.

Pharmacophore- and QSAR-guided discovery of natural product inhibitors targeting dehydrosqualene synthase in Staphylococcus aureus

Juliana Amorim, Santiago Ortega, Ricardo Rodas, Luis Vélez, Denisse Arteaga, Juan Carpio

published 29 Apr 2026

Loading metrics information...

Metrics unavailable. Please check back later.

Network pharmacology and integrative bioinformatics analyses identify PDE1A as a key target of pirfenidone in idiopathic pulmonary fibrosis

Jing Wu, Haseeb Khaliq, Yanyan Ke, Qudrat Ullah, Sheikh Arslan Sehgal, Xue Yi

published 10 Apr 2026

Loading metrics information...

Metrics unavailable. Please check back later.

Chlorotoxin does not target matrix metalloproteinase-2 in glioblastoma

Eli Blaney, Meron Demeke, Seraphine Kamayirese, Louise Monga, Laura A. Hansen, Charles R. Watts, Sándor Lovas

published 09 Apr 2026

Loading metrics information...

Metrics unavailable. Please check back later.

Antimicrobial and antibiofilm evaluation of thymol, sodium azide, and sodium lauryl sulfate against multidrug-resistant pathogens: An integrated experimental and computational study

Kamal A. Qureshi, Adil Parvez

published 07 Apr 2026

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"