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Protein structure databases

The comparative genomic analysis provides insights into the phylogeny and virulence of tick-borne encephalitis virus vaccine strain Senzhang

Meng Zhang, Jingyong Tian, Hongying Li, Ming Cang

Combining empirical knowledge, in silico molecular docking and ADMET profiling to identify therapeutic phytochemicals from Brucea antidysentrica for acute myeloid leukemia

Lemessa Etana Bultum, Gemechu Bekele Tolossa, Doheon Lee

DOCKGROUND membrane protein-protein set

Ian Kotthoff, Petras J. Kundrotas, Ilya A. Vakser

RETRACTED: Dynamics of natural product Lupenone as a potential fusion inhibitor against the spike complex of novel Semliki Forest Virus

Nobendu Mukerjee, Anubhab Das, [ ... ], Muhanna K. Al-Muhanna

Identification of potential interleukin-8 inhibitors acting on the interactive site between chemokine and CXCR2 receptor: A computational approach

Thi-Thuy-Nga Tran, Que-Huong Tran, [ ... ], Khac-Minh Thai

Structural systems pharmacology: A framework for integrating metabolic network and structure-based virtual screening for drug discovery against bacteria

Elmira Nazarshodeh, Sayed-Amir Marashi, Sajjad Gharaghani

Principal component analysis of alpha-helix deformations in transmembrane proteins

Alexander Bevacqua, Sachit Bakshi, Yu Xia

PDBrenum: A webserver and program providing Protein Data Bank files renumbered according to their UniProt sequences

Bulat Faezov, Roland L. Dunbrack Jr.

Predicting aptamer sequences that interact with target proteins using an aptamer-protein interaction classifier and a Monte Carlo tree search approach

Gwangho Lee, Gun Hyuk Jang, Ho Young Kang, Giltae Song

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

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

MCPdb: The bacterial microcompartment database

Jessica M. Ochoa, Kaylie Bair, [ ... ], Todd O. Yeates

Naegleria fowleri: Protein structures to facilitate drug discovery for the deadly, pathogenic free-living amoeba

Logan Tillery, Kayleigh Barrett, [ ... ], Wesley C. Van Voorhis

A chemical interpretation of protein electron density maps in the worldwide protein data bank

Sen Yao, Hunter N. B. Moseley

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