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Protein structure prediction

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

Dataset of single nucleotide polymorphisms of immune-associated genes in patients with SARS-CoV-2 infection

Nikoletta Katsaouni, Pablo Llavona, [ ... ], Daniela S. Krause

In Silico identification of novel phytochemicals that target SFRP4: An early biomarker of diabesity

Asim Rehman, Shazia Anwer Bukhari, [ ... ], Zunera Chauhdary

Developing similarity matrices for antibody-protein binding interactions

Sumaiya Islam, Robert J. Pantazes

Expanding the repertoire of human tandem repeat RNA-binding proteins

Agustín Ormazábal, Matías Sebastián Carletti, [ ... ], Alex Bateman

Prediction of hot spots towards drug discovery by protein sequence embedding with 1D convolutional neural network

Youzhi Zhang, Sijie Yao, Peng Chen

Characterization of a virulence factor in Plasmodiophora brassicae, with molecular markers for identification

Afsaneh Sedaghatkish, Bruce D. Gossen, Mary Ruth McDonald

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