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Protein structure databases

Potentials of Mean Force for Protein Structure Prediction Vindicated, Formalized and Generalized

Thomas Hamelryck, Mikael Borg, [ ... ], Jesper Ferkinghoff-Borg

SGC - Structural Biology and Human Health: A New Approach to Publishing Structural Biology Results

Wen Hwa Lee, Julián Atienza-Herrero, Ruben Abagyan, Brian D. Marsden

SWEETLEAD: an In Silico Database of Approved Drugs, Regulated Chemicals, and Herbal Isolates for Computer-Aided Drug Discovery

Paul A. Novick, Oscar F. Ortiz, [ ... ], Vijay S. Pande

Protein X of Hepatitis B Virus: Origin and Structure Similarity with the Central Domain of DNA Glycosylase

Formijn J. van Hemert, Maarten A. A. van de Klundert, [ ... ], Hans L. Zaaijer

Proteolytic Characteristics of Cathepsin D Related to the Recognition and Cleavage of Its Target Proteins

Huiying Sun, Xiaomin Lou, [ ... ], Siqi Liu

BEST: Improved Prediction of B-Cell Epitopes from Antigen Sequences

Jianzhao Gao, Eshel Faraggi, [ ... ], Lukasz Kurgan

Predicting aptamer sequences that interact with target proteins using an aptamer-protein interaction classifier and a Monte Carlo tree search approach

Gwangho Lee, Gun Hyuk Jang, Ho Young Kang, Giltae Song

Contextual Specificity in Peptide-Mediated Protein Interactions

Amelie Stein, Patrick Aloy

Assignment of PolyProline II Conformation and Analysis of Sequence – Structure Relationship

Yohann Mansiaux, Agnel Praveen Joseph, Jean-Christophe Gelly, Alexandre G. de Brevern

A New Family of Intrinsically Disordered Proteins: Structural Characterization of the Major Phasin PhaF from Pseudomonas putida KT2440

Beatriz Maestro, Beatriz Galán, [ ... ], Jesús M. Sanz

CleavPredict: A Platform for Reasoning about Matrix Metalloproteinases Proteolytic Events

Sonu Kumar, Boris I. Ratnikov, [ ... ], Piotr Cieplak

Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery

María Jose Rebollo-Lopez, Joël Lelièvre, [ ... ], David Barros-Aguire

Combining Structural Modeling with Ensemble Machine Learning to Accurately Predict Protein Fold Stability and Binding Affinity Effects upon Mutation

Niklas Berliner, Joan Teyra, [ ... ], Philip M. Kim

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