scholarly journals Molprobity's ultimate rotamer-library distributions for model validation

2016 ◽  
Vol 84 (9) ◽  
pp. 1177-1189 ◽  
Author(s):  
Bradley J. Hintze ◽  
Steven M. Lewis ◽  
Jane S. Richardson ◽  
David C. Richardson
Keyword(s):  
Model Validation ◽  
Rotamer Library

BCL::Conf – Improved Open-Source Knowledge-Based Conformation Sampling using the Crystallographic Open Database

2020 ◽  
Author(s):  
Jeffrey Mendenhall ◽  
Benjamin Brown ◽  
Sandeepkumar Kothiwale ◽  
Jens Meiler
Keyword(s):  
Ligand Binding ◽  
Open Source ◽  
Operating Systems ◽  
Generation Algorithm ◽  
Rotamer Library ◽  
Conformer Generation ◽  
Knowledge Based

<div>This paper describes recent improvements made to the BCL::Conf rotamer generation algorithm and comparison of its performance against other freely available and commercial conformer generation software. We demonstrate that BCL::Conf, with the use of rotamers derived from the COD, more effectively recovers crystallographic ligand-binding conformations seen in the PDB than other commercial and freely available software. BCL::Conf is now distributed with the COD-derived rotamer library, free for academic use. The BCL can be downloaded at <a href="http://meilerlab.org/index.php/bclcommons/show/b_apps_id/1">http://meilerlab.org/ bclcommons</a> for Windows, Linux, or Apple operating systems.<br></div>

Model Validation and Design for the Dynamic Environment Simulator. Phase 2

1998 ◽  
Author(s):  
Jon A. VAN Poppel ◽  
David J. Pancratz ◽  
Mike H. Rangel ◽  
Brian J. Barton ◽  
Robert D. Banks
Keyword(s):  
Model Validation ◽  
Dynamic Environment ◽  
Phase 2

EINSTein Model Validation

2002 ◽  
Author(s):  
Randall R. Klingaman ◽  
William B. Carlton
Keyword(s):  
Model Validation ◽  
Einstein Model

Propagation of Uncertainty for Model Validation of Substructured Spacecraft

2013 ◽  
Author(s):  
Daniel Kammer ◽  
Sonny Nimityongskul ◽  
Dimitri Kratiger
Keyword(s):  
Model Validation ◽  
Propagation Of Uncertainty
Sign in / Sign up

Export Citation Format

Share Document