rstoolbox - a Python library for large-scale analysis of computational protein design data and structural bioinformatics

Computational protein design — the next generation tool to expand synthetic biology applications

(2018) Pablo Gainza-Cirauqui et al.   CURRENT OPINION IN BIOTECHNOLOGY

HMMER web server: 2018 update

(2018) Simon C Potter et al.   NUCLEIC ACIDS RESEARCH

CATH: expanding the horizons of structure-based functional annotations for genome sequences

(2018) Ian Sillitoe et al.   NUCLEIC ACIDS RESEARCH

Rosetta FunFolDes – A general framework for the computational design of functional proteins

(2018) Jaume Bonet et al.   PLoS Computational Biology

The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design

(2017) Rebecca F. Alford et al.   Journal of Chemical Theory and Computation

Principles for designing proteins with cavities formed by curved β sheets

(2017) Enrique Marcos et al.   SCIENCE

Algorithms for protein design

(2016) Pablo Gainza et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

A Computationally Designed Inhibitor of an Epstein-Barr Viral Bcl-2 Protein Induces Apoptosis in Infected Cells

(2014) Erik Procko et al.   CELL

Improvements to Robotics-Inspired Conformational Sampling in Rosetta

(2013) Amelie Stein et al.   PLoS One

Ligand Pose and Orientational Sampling in Molecular Docking

(2013) Ryan G. Coleman et al.   PLoS One

Structural basis of respiratory syncytial virus neutralization by motavizumab

(2010) Jason S McLellan et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Predicting resistance mutations using protein design algorithms

(2010) K. M. Frey et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Sampling Bottlenecks in De novo Protein Structure Prediction

(2009) David E. Kim et al.   JOURNAL OF MOLECULAR BIOLOGY

Computational structure-based redesign of enzyme activity

(2009) C.-Y. Chen et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Probing the “Dark Matter” of Protein Fold Space

(2009) William R. Taylor et al.   STRUCTURE