Advertisement

Browse Subject Areas

?

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

For more information about PLOS Subject Areas, click here.

Molecular docking

The edible seaweed Laminaria japonica contains cholesterol analogues that inhibit lipid peroxidation and cyclooxygenase enzymes

Xingyu Lu, Amila A. Dissanayake, [ ... ], Muraleedharan G. Nair

Gene mining, codon optimization and analysis of binding mechanism of an aldo-keto reductase with high activity, better substrate specificity and excellent solvent tolerance

Wei Jiang, Xiaoli Fu, Weiliang Wu

Tau fibril with membrane lipids: Insight from computational modeling and simulations

Prechiel A. Barredo, Marvin Jose F. Fernandez, Christopher E. Ambe, Mannix P. Balanay

Fucosyltransferase 2 inhibitors: Identification via docking and STD-NMR studies

Humaira Zafar, Muhammad Atif, Atia-tul-Wahab, M. Iqbal Choudhary

Network pharmacology and molecular docking reveal the effective substances and active mechanisms of Dalbergia Odoriferain protecting against ischemic stroke

Kedi Liu, Xingru Tao, [ ... ], Miaomiao Xi

Phylogenetic analyses, protein modeling and active site prediction of two pathogenesis related (PR2 and PR3) genes from bread wheat

Muhammad Numan, Shazia Anwer Bukhari, [ ... ], Bushra Sadia

A novel angiotensin I-converting enzyme inhibitory peptide derived from the trypsin hydrolysates of salmon bone proteins

Thanakrit Kaewsahnguan, Sajee Noitang, [ ... ], Aphichart Karnchanatat

Finding inhibitors for PCSK9 using computational methods

Rida Zainab, Afshan Kaleem, [ ... ], Daniel C. Hoessli

RETRACTED: Molecular docking and dynamics simulation study of bioactive compounds from Ficus carica L. with important anticancer drug targets

Arun Bahadur Gurung, Mohammad Ajmal Ali, [ ... ], Khalid Mashay Al-Anazi

Network pharmacology and molecular docking study on the mechanism of colorectal cancer treatment using Xiao-Chai-Hu-Tang

Jingyun Jin, Bin Chen, [ ... ], Yun Dong

Molecular dynamics analysis of N-acetyl-D-glucosamine against specific SARS-CoV-2’s pathogenicity factors

Ömür Baysal, Naeem Abdul Ghafoor, [ ... ], Volha Kniazeva

PharmaNet: Pharmaceutical discovery with deep recurrent neural networks

Paola Ruiz Puentes, Natalia Valderrama, [ ... ], Pablo Arbeláez

Quercetin as a potential treatment for COVID-19-induced acute kidney injury: Based on network pharmacology and molecular docking study

Yue-Yu Gu, Min Zhang, [ ... ], Hui-Yao Lan

Advertisement

Create a weekly email alert for: Molecular docking

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