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Protein interactions

Single-cell multiomics data analysis of potential receptors and therapeutic drugs for epilepsy patients comorbid with depression

Guiqin Bai, Xuerong Zhou, [ ... ], Shushan Zhang

In search of novel PD1 inhibitor from natural products by high-throughput virtual screening and molecular dynamics simulation

Neha Sharma, Abhijit Debnath, [ ... ], Rajesh Kumar Singh

Computational investigation of African natural products as Helicobacter pylori shikimate kinase inhibitors

Hari Ram Sharma Paudel

Effect of HIV-1 subtype-specific Tat protein polymorphisms on Tat-TAR interaction

Alnara Zhamalbekova, Mahmoud A. A. Ibrahim, Peter A. Sidhom, Syed Hani Abidi

Phytochemicals from Astragalus zederbaueri as Acetylcholinesterase Inhibitors for Alzheimer’s Therapy

Saman Asghar, Muhammad Umer Khan, [ ... ], Abida Khan

Structural transformation of a hydrogel-forming cell division protein ZapB of multidrug resistant Klebsiella pneumoniae with small molecules

Ayesha Khan, M. Iqbal Choudhary, [ ... ], Atia-tul Wahab

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

Non-markovian electron tunneling in SARS-CoV-2 virus infection in structured environments

Muhammad Waqas Haseeb, Mohamad Toutounji

Proteome-based investigation of O-GlcNAcylation in a C. elegans model of ageing and Alzheimer’s disease: Functional support for earlier hypothesis-generating findings

Fernando Garcia Olivera

Identification of polyphenols as novel neuropilin-1 cendR pocket inhibitors to block SARS-CoV-2 entry and enhance variant resistance

Farid Ataya, Abir Alamro, Amani Alghamdi, Dalia Fouad

Multitarget docking and molecular enumeration reveal DdpMPyPEPhU as a potent modulator of cell cycle, glucocorticoid, and estrogen signalling in breast cancer

Shaban Ahmad, Sahar Qazi, [ ... ], Khalid Raza

Quantitative profiling of lifespan-dependent cell-cell communication potential reveals dynamic ligand-receptor network shifts across mouse tissues

Boyong Wei, Evan P. Troendle, David A. Simpson, Alan W. Stitt

A cluster of acidic residues in the cytoplasmic domain of SARS-CoV-2 Spike is required for virion-incorporation and infectivity

Charlotte A. Stoneham, Rajendra Singh, [ ... ], John Guatelli

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