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Protein structure

Phenotypic and molecular characterization of the largest worldwide cluster of hereditary angioedema type 1

Juan Sebastian Arias-Flórez, Sandra Ximena Ramirez, [ ... ], Carlos M. Restrepo

Challenges and strategies in the soluble expression of CTA1-(S14P5)4-DD and CTA1-(S21P2)4-DD fusion proteins as candidates for COVID-19 intranasal vaccines

Simson Tarigan, Gita Sekarmila, [ ... ], Damai Ria Setyawati

Comprehensive characterization of high-risk coding and non-coding single nucleotide polymorphisms of human CXCR4 gene

Bonoshree Sarkar, Muhammad Safiul Alam Mondal, [ ... ], Atiqur Rahman

Heterologous expression, purification, and biochemical characterization of protease 3075 from Cohnella sp. A01

Fatemeh Hashemi Shahraki, Narges Evazzadeh, Saeed Aminzadeh

In silico exploration of potent flavonoids for dengue therapeutics

Anuraj Phunyal, Achyut Adhikari, Jhashanath Adhikari Subin

Integration of pharmacophore-based virtual screening, molecular docking, ADMET analysis, and MD simulation for targeting EGFR: A comprehensive drug discovery study using commercial databases

Abdullah R. Alanzi, Ashaimaa Y. Moussa, [ ... ], Ijaz Ali

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

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

A percolation theory analysis of continuous functional paths in protein sequence space affirms previous insights on the optimization of proteins for adaptability

Brian J. Miller

Computational investigation of naturally occurring anticancer agents in regulating Hedgehog pathway proteins

Renu Pai, Divijendranatha Reddy Sirigiri, Rajyalakshmi Malempati, Saisha Vinjamuri

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

Role of ruscogenin extracted from Radix Ophiopogon Japonicus in antagonizing 5-hydroxytryptamine and dopamine receptors through computational screening

Suya Ma, Yongmei Liu

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

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