Structure-based drug discovery (SBDD) is becoming an essential tool in assisting fast and
cost-efficient lead discovery and optimization. The application of rational, structure-based …

Molecular recognition is central to all biological processes. For the past 50 years,
Koshland's' induced fit'hypothesis has been the textbook explanation for molecular …

We describe Rosetta-based computational protocols for predicting the 3D structure of an
antibody from sequence (RosettaAntibody) and then docking the antibody to protein …

PyRosetta is a stand-alone Python-based implementation of the Rosetta molecular
modeling package that allows users to write custom structure prediction and design …

Computational prediction of the 3D structures of molecular interactions is a challenging
area, often requiring significant computational resources to produce structural predictions …

The Rosetta molecular modeling software package provides experimentally tested and
rapidly evolving tools for the 3D structure prediction and high-resolution design of proteins …

New molecular modeling approaches, driven by rapidly improving computational platforms,
have allowed many success stories for the use of computer-assisted drug design in the …

The objective of this review is to enable researchers to use the software package Rosetta for
biochemical and biomedicinal studies. We provide a brief review of the six most frequent …

Abstract The RosettaDock server (http://rosettadock. graylab. jhu. edu) identifies low-energy
conformations of a protein–protein interaction near a given starting configuration by …

RosettaDock has been increasingly used in protein docking and design strategies in order
to predict the structure of protein-protein interfaces. Here we test capabilities of RosettaDock …