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Protein structure prediction

Identification of metal ion binding sites based on amino acid sequences

Xiaoyong Cao, Xiuzhen Hu, [ ... ], Weihua Bao

Docking-based modeling of protein-protein interfaces for extensive structural and functional characterization of missense mutations

Didier Barradas-Bautista, Juan Fernández-Recio

Functional characterization of an aquaporin from a microsporidium, Nosema bombycis

Gong Chen, Wei Wang, [ ... ], Zhongyuan Shen

Protein asparagine deamidation prediction based on structures with machine learning methods

Lei Jia, Yaxiong Sun

Atomistic modeling of alternating access of a mitochondrial ADP/ATP membrane transporter with molecular simulations

Koichi Tamura, Shigehiko Hayashi

Protein analysis and gene expression indicate differential vulnerability of Iberian fish species under a climate change scenario

Tiago F. Jesus, João M. Moreno, [ ... ], Maria M. Coelho

Expression of Rickettsia Adr2 protein in E. coli is sufficient to promote resistance to complement-mediated killing, but not adherence to mammalian cells

Daniel A. Garza, Sean P. Riley, Juan J. Martinez

Insights into the binding mode of MEK type-III inhibitors. A step towards discovering and designing allosteric kinase inhibitors across the human kinome

Zheng Zhao, Lei Xie, Philip E. Bourne

A TALE-inspired computational screen for proteins that contain approximate tandem repeats

Malgorzata Perycz, Joanna Krwawicz, Matthias Bochtler

Variability in CitXET expression and XET activity in Citrus cultivar Huangguogan seedlings with differed degrees of etiolation

Bo Xiong, Xianjie Gu, [ ... ], Zhihui Wang

Accurate prediction of functional effects for variants by combining gradient tree boosting with optimal neighborhood properties

Yuliang Pan, Diwei Liu, Lei Deng

Designing small molecules to target cryptic pockets yields both positive and negative allosteric modulators

Kathryn M. Hart, Katelyn E. Moeder, [ ... ], Gregory R. Bowman

Identification of diagnostic peptide regions that distinguish Zika virus from related mosquito-borne Flaviviruses

Alexandra J. Lee, Roshni Bhattacharya, Richard H. Scheuermann, Brett E. Pickett

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