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Structural Homology, Protein

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A machine learning approach for ranking clusters of docked protein-protein complexes by pairwise cluster comparison.

Proteins
Reliable identification of near-native poses of docked protein-protein complexes is still an unsolved problem. The intrinsic heterogeneity of protein-protein interactions is challenging for traditional biophysical or knowledge based potentials and th...

Predicting protein conformational changes for unbound and homology docking: learning from intrinsic and induced flexibility.

Proteins
Predicting protein conformational changes from unbound structures or even homology models to bound structures remains a critical challenge for protein docking. Here we present a study directly addressing the challenge by reducing the dimensionality a...

Biocuration in the structure-function linkage database: the anatomy of a superfamily.

Database : the journal of biological databases and curation
UNLABELLED: With ever-increasing amounts of sequence data available in both the primary literature and sequence repositories, there is a bottleneck in annotating molecular function to a sequence. This article describes the biocuration process and met...

Improved pan-specific prediction of MHC class I peptide binding using a novel receptor clustering data partitioning strategy.

HLA
Pan-specific prediction of receptor-ligand interaction is conventionally done using machine-learning methods that integrates information about both receptor and ligand primary sequences. To achieve optimal performance using machine learning, dealing ...

PDP-CON: prediction of domain/linker residues in protein sequences using a consensus approach.

Journal of molecular modeling
The prediction of domain/linker residues in protein sequences is a crucial task in the functional classification of proteins, homology-based protein structure prediction, and high-throughput structural genomics. In this work, a novel consensus-based ...

VH-VL orientation prediction for antibody humanization candidate selection: A case study.

mAbs
Antibody humanization describes the procedure of grafting a non-human antibody's complementarity-determining regions, i.e., the variable loop regions that mediate specific interactions with the antigen, onto a β-sheet framework that is representative...