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Protein structure prediction

Predicting hotspots for disease-causing single nucleotide variants using sequences-based coevolution, network analysis, and machine learning

Wenjun Zheng

AlphaFold2 modeling and molecular dynamics simulations of an intrinsically disordered protein

Hao-Bo Guo, Baxter Huntington, [ ... ], Rajiv Berry

Multi-epitope vaccine design using in silico analysis of glycoprotein and nucleocapsid of NIPAH virus

Anoop Kumar, Gauri Misra, Sreelekshmy Mohandas, Pragya D. Yadav

Exploring the fragmentation efficiency of proteins analyzed by MALDI-TOF-TOF tandem mass spectrometry using computational and statistical analyses

Jihyun Park, Clifton K. Fagerquist

Structural bioinformatics studies of glutamate transporters and their AlphaFold2 predicted water-soluble QTY variants and uncovering the natural mutations of L->Q, I->T, F->Y and Q->L, T->I and Y->F

Alper Karagöl, Taner Karagöl, Eva Smorodina, Shuguang Zhang

Searching for new plastic-degrading enzymes from the plastisphere of alpine soils using a metagenomic mining approach

Beat Frey, Margherita Aiesi, [ ... ], Ivano Brunner

Structural bioinformatics studies of serotonin, dopamine and norepinephrine transporters and their AlphaFold2 predicted water-soluble QTY variants and uncovering the natural mutations of L->Q, I->T, F->Y and Q->L, T->I and Y->F

Taner Karagöl, Alper Karagöl, Shuguang Zhang

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

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