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Protein structure

Arsenic efflux and bioremediation potential of Klebsiella oxytoca via the arsB gene

Sana Waqar, Aamira Tariq, [ ... ], Nazish Bostan

Cross-species comparison of AlphaFold-derived G protein-coupled receptor structures reveals novel melatonin-related receptor in Neurospora crassa

Cathryn S. D. Maienza, Guillaume Lamoureux, Kwangwon Lee

Computational design of multi-epitope vaccine against Hepatitis C Virus infection using immunoinformatics techniques

Sara Zubair, Fahed Parvaiz, [ ... ], Shahid Bashir

Investigating the functional and structural effect of non-synonymous single nucleotide polymorphisms in the cytotoxic T-lymphocyte antigen-4 gene: An in-silico study

Md. Mostafa Kamal, Kazi Fahmida Haque Shantanu, [ ... ], Md. Munnaf Hossen

Structure-guided identification of mitogen-activated protein kinase-1 inhibitors towards anticancer therapeutics

Md Nayab Sulaimani, Shazia Ahmed, [ ... ], Md. Imtaiyaz Hassan

Investigation of biometabolites and novel antimicrobial peptides derived from promising source Cordyceps militaris and effect of non-small cell lung cancer genes computationally

Muhammad Afzal, Mai Abdel Haleem A. Abusalah, [ ... ], Kirnpal Kaur Banga Singh

Ongoing measles outbreak in Romania: Clinical investigation and molecular epidemiology performed on whole genome sequences

Robert Hohan, Marius Surleac, [ ... ], Simona Paraschiv

Fracture-healing effects of Rhizoma Musae ethanolic extract: An integrated study using UHPLC-Q-Exactive-MS/MS, network pharmacology, and molecular docking

Jian Zhang, Wanyan Shen, [ ... ], Lina Luo

Immunoinformatics design of a novel multiepitope vaccine candidate against non-typhoidal salmonellosis caused by Salmonella Kentucky using outer membrane proteins A, C, and F

Elayoni E. Igomu, Paul H. Mamman, [ ... ], David O. Ehizibolo

In silico drug repurposing at the cytoplasmic surface of human aquaporin 1

Aled R. Lloyd, Karl Austin-Muttitt, Jonathan G. L. Mullins

Biophysical and biochemical evidence for the role of acetate kinases (AckAs) in an acetogenic pathway in pathogenic spirochetes

Ranjit K. Deka, Shih-Chia Tso, Wei Z. Liu, Chad A. Brautigam

Sequence and biochemical analysis of vaccinia virus A32 protein: Implications for in vitro stability and coiled-coil motif mediated regulation of the DNA-dependent ATPase activity

Uma Ramakrishnan, Tanvi Aggarwal, Kiran Kondabagil

Designing of an mRNA vaccine against high-risk human papillomavirus targeting the E6 and E7 oncoproteins exploiting immunoinformatics and dynamic simulation

Md. Mijanur Rahman, Md. Habib Ullah Masum, [ ... ], Asma Talukder

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