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Macromolecular design

Computational design of Lactobacillus Acidophilus α-L-rhamnosidase to increase its structural stability

Thassanai Sitthiyotha, Methus Klaewkla, Kuakarun Krusong, Rath Pichyangkura, Surasak Chunsrivirot

published 25 May 2022

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The register shift rules for βαβ-motifs for de novo protein design

Hiroto Murata, Hayao Imakawa, Nobuyasu Koga, George Chikenji

published 30 Aug 2021

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Rosetta:MSF:NN: Boosting performance of multi-state computational protein design with a neural network

Julian Nazet, Elmar Lang, Rainer Merkl

published 26 Aug 2021

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Posterior ventral tegmental area-nucleus accumbens shell circuitry modulates response to novelty

Hailong Li, Jessica M. Illenberger, Michael N. Cranston, Charles F. Mactutus, Kristen A. McLaurin, Steven B. Harrod, Rosemarie M. Booze

published 05 Mar 2019

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Computational prediction of the tolerance to amino-acid deletion in green-fluorescent protein

Eleisha L. Jackson, Stephanie J. Spielman, Claus O. Wilke

published 03 Apr 2017

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Improving the Thermostability of Acidic Pullulanase from Bacillus naganoensis by Rational Design

Meihui Chang, Xiaoyu Chu, Jinzhi Lv, Qingbin Li, Jian Tian, Ningfeng Wu

published 20 Oct 2016

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A Web Resource for Standardized Benchmark Datasets, Metrics, and Rosetta Protocols for Macromolecular Modeling and Design

Shane Ó Conchúir, Kyle A. Barlow, Roland A. Pache, Noah Ollikainen, Kale Kundert, Matthew J. O'Meara, Colin A. Smith, Tanja Kortemme

published 03 Sep 2015

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On Simplified Global Nonlinear Function for Fitness Landscape: A Case Study of Inverse Protein Folding

Yun Xu, Changyu Hu, Yang Dai, Jie Liang

published 11 Aug 2014

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Improving the Anti-Toxin Abilities of the CMG2-Fc Fusion Protein with the Aid of Computational Design

Yongyi Xi, Xiaojie Wu, Lihua Gao, Yong Shao, Hui Peng, Hongxing Chen, Huipeng Chen, Xianwen Hu, Junjie Yue

published 07 Aug 2014

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Validating a Coarse-Grained Potential Energy Function through Protein Loop Modelling

James T. MacDonald, Lawrence A. Kelley, Paul S. Freemont

published 18 Jun 2013

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Binding Pocket Optimization by Computational Protein Design

Christoph Malisi, Marcel Schumann, Nora C. Toussaint, Jorge Kageyama, Oliver Kohlbacher, Birte Höcker

published 27 Dec 2012

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Incorporation of Noncanonical Amino Acids into Rosetta and Use in Computational Protein-Peptide Interface Design

P. Douglas Renfrew, Eun Jung Choi, Richard Bonneau, Brian Kuhlman

published 14 Mar 2012

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RosettaRemodel: A Generalized Framework for Flexible Backbone Protein Design

Po-Ssu Huang, Yih-En Andrew Ban, Florian Richter, Ingemar Andre, Robert Vernon, William R. Schief, David Baker

published 31 Aug 2011

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