scholarly journals A Rotamer Library to Enable Modeling and Design of Peptoid Foldamers

2014 ◽  
Vol 136 (24) ◽  
pp. 8772-8782 ◽  
Author(s):  
P. Douglas Renfrew ◽  
Timothy W. Craven ◽  
Glenn L. Butterfoss ◽  
Kent Kirshenbaum ◽  
Richard Bonneau
Keyword(s):  
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>

scholarly journals RosettaEPR: Rotamer Library for Spin Label Structure and Dynamics

PLoS ONE ◽  
2013 ◽  
Vol 8 (9) ◽  
pp. e72851 ◽  
Author(s):  
Nathan S. Alexander ◽  
Richard A. Stein ◽  
Hanane A. Koteiche ◽  
Kristian W. Kaufmann ◽  
Hassane S. Mchaourab ◽  
...  
Keyword(s):  
Spin Label ◽  
Rotamer Library ◽  
Structure And Dynamics

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

A Study of Phenylalanine Side-Chain Dynamics in Surface-Adsorbed Peptides Using Solid-State Deuterium NMR and Rotamer Library Statistics

2014 ◽  
Vol 136 (32) ◽  
pp. 11402-11411 ◽  
Author(s):  
Kun Li ◽  
Prashant S. Emani ◽  
Jason Ash ◽  
Michael Groves ◽  
Gary P. Drobny
Keyword(s):  
Solid State ◽  
Side Chain ◽  
Deuterium Nmr ◽  
Chain Dynamics ◽  
Rotamer Library ◽  
Side Chain Dynamics
Sign in / Sign up

Export Citation Format

Share Document