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Protein structure prediction

The impact of genetically controlled splicing on exon inclusion and protein structure

Jonah Einson, Mariia Minaeva, Faiza Rafi, Tuuli Lappalainen

Assessing the efficacy of cinnamon compounds against H. pylori through molecular docking, MD Simulations and ADMET analyses

Muhammad Farhan Sarwar, Afnan Zahra, [ ... ], Khursheed Muzammil

Enzymatic properties of UDP-glycosyltransferase 89B1 from radish and modulation of enzyme catalytic activity via loop region mutation

Hiroyuki Ohashi, Daisuke Koma, Hayato Yamanaka, Takashi Ohmoto

Suboptimal capability of individual machine learning algorithms in modeling small-scale imbalanced clinical data of local hospital

Gang Li, Chenbi Li, Chengli Wang, Zeheng Wang

Identification and In-Silico study of non-synonymous functional SNPs in the human SCN9A gene

Sana Waheed, Kainat Ramzan, [ ... ], Ahmed Bari

De novo prediction of RNA 3D structures with deep generative models

Julius Ramakers, Christopher Frederik Blum, [ ... ], Markus Kollmann

Molecular docking and dynamics simulation studies uncover the host-pathogen protein-protein interactions in Penaeus vannamei and Vibrio parahaemolyticus

Nur Fathiah Rosilan, Muhamad Arif Mohamad Jamali, [ ... ], Nor Afiqah-Aleng

Improving structure-based protein-ligand affinity prediction by graph representation learning and ensemble learning

Jia Guo

Comprehensive characterization of coding and non-coding single nucleotide polymorphisms of the Myoneurin (MYNN) gene using molecular dynamics simulation and docking approaches

Sadia Islam Mou, Tamanna Sultana, [ ... ], Md. Ismail Hosen

Putative purine nucleoside interacting residues in the malaria parasite purine uptake transporter PfENT1 are critical for transporter function

Criselda Dillague, Myles H. Akabas

Characterization of terminal flowering cowpea (Vigna unguiculata (L.) Walp.) mutants obtained by induced mutagenesis digs out the loss-of-function of phosphatidylethanolamine-binding protein

Vijayakumar Eswaramoorthy, Thangaraj Kandasamy, [ ... ], Raveendran Muthurajan

Metagenomic discovery of lipases with predicted structural similarity to Candida antarctica lipase B

Nongluck Jaito, Nattha Kaewsawat, Suthathip Phetlum, Tanaporn Uengwetwanit

Computational analysis of the functional and structural impact of the most deleterious missense mutations in the human Protein C

Mahvash Farajzadeh-Dehkordi, Ladan Mafakher, [ ... ], Babak Rahmani

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