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Protein structure prediction

Identification of core therapeutic targets for Monkeypox virus and repurposing potential of drugs: A WEB prediction approach

Huaichuan Duan, Quanshan Shi, [ ... ], Hubing Shi

Systematic analysis of the relationship between fold-dependent flexibility and artificial intelligence protein structure prediction

Neshatul Haque, Jessica B. Wagenknecht, Brian D. Ratnasinghe, Michael T. Zimmermann

Integrated virtual screening and MD simulation study to discover potential inhibitors of mycobacterial electron transfer flavoprotein oxidoreductase

Kaleem Arshad, Jahanzab Salim, [ ... ], Nazia Kanwal

Computational analysis of the deleterious non-synonymous single nucleotide polymorphisms (nsSNPs) in TYR gene impacting human tyrosinase protein and the protein stability

Wei Fan, Heng Li Ji, [ ... ], Yasmeen Shakir

Identification of interaction partners of outer inflammatory protein A: Computational and experimental insights into how Helicobacter pylori infects host cells

Sümeyye Akcelik-Deveci, Elif Kılıç, [ ... ], Sinem Oktem-Okullu

Design and antiviral assessment of a panel of fusion proteins targeting human papillomavirus type 16

Chongzhi Bai, Ruoyu Wang, [ ... ], Pengcheng Han

The oral pathogen Porphyromonas gingivalis gains tolerance to the antimicrobial peptide DGL13K by synonymous mutations in hagA

Sven-Ulrik Gorr, Ruoqiong Chen, Juan E. Abrahante, Paul B. M. Joyce

Engineered red Opto-mGluR6 Opsins, a red-shifted optogenetic excitation tool, an in vitro study

Hoda Shamsnajafabadi, Zahra-Soheila Soheili, [ ... ], Ali Kashanian

Designing novel multiepitope mRNA vaccine targeting Hendra virus (HeV): An integrative approach utilizing immunoinformatics, reverse vaccinology, and molecular dynamics simulation

Ahmad Abdullah Mahdeen, Imam Hossain, [ ... ], T. M. Fazla Rabbi

Examination of yield, bacteriolytic activity and cold storage of linker deletion mutants based on endolysin S6_ORF93 derived from Staphylococcus giant bacteriophage S6

Sosuke Munetomo, Jumpei Uchiyama, [ ... ], Osamu Matsushita

Predictive immunoinformatics reveal promising safety and anti-onchocerciasis protective immune response profiles to vaccine candidates (Ov-RAL-2 and Ov-103) in anticipation of phase I clinical trials

Derrick Neba Nebangwa, Robert Adamu Shey, [ ... ], Stephen Mbigha Ghogomu

The N-terminal activation function AF-1 domain of ERα interacts directly with the C-terminal AF-2-holding ligand-binding domain to recruit the coactivator proteins

Xiaohui Liu, Yutaka Matsuyama, [ ... ], Yasuyuki Shimohigashi

The chromatin remodeler SMARCA5 binds to d-block metal supports: Characterization of affinities by IMAC chromatography and QM analysis

Prokopis C. Andrikopoulos, Pavel Čabart

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