Predicting the Functions and Specificity of Triterpenoid Synthases: A Mechanism-Based Multi-intermediate Docking Approach

10.1371/journal.pcbi.1003874

Saved in:

Bibliographic Details
Main Authors:	Tian B.-X., Wallrapp F.H., Holiday G.L., Chow J.-Y., Babbitt P.C., Poulter C.D., Jacobson M.P.
Other Authors:	BIOCHEMISTRY
Format:	Article
Published:	2019
Subjects:	triterpenoid triterpenoid synthase unclassified drug isomerase mutase pinene cyclase I squalene-hopene cyclase terpene transferase amino acid sequence Article binding affinity binding site catalysis comparative study crystal structure enzyme activity enzyme binding enzyme specificity enzyme structure mathematical computing measurement accuracy molecular docking molecular mechanics mutagenesis prediction protein function biology chemistry metabolism protein engineering Alkyl and Aryl Transferases Computational Biology Intramolecular Lyases Intramolecular Transferases Molecular Docking Simulation Protein Engineering Terpenes
Online Access:	https://scholarbank.nus.edu.sg/handle/10635/161945
Tags:	Add Tag No Tags, Be the first to tag this record!
Institution:	National University of Singapore

id	sg-nus-scholar.10635-161945
record_format	dspace
spelling	sg-nus-scholar.10635-1619452024-04-22T02:51:10Z Predicting the Functions and Specificity of Triterpenoid Synthases: A Mechanism-Based Multi-intermediate Docking Approach Tian B.-X. Wallrapp F.H. Holiday G.L. Chow J.-Y. Babbitt P.C. Poulter C.D. Jacobson M.P. BIOCHEMISTRY triterpenoid triterpenoid synthase unclassified drug isomerase mutase pinene cyclase I squalene-hopene cyclase terpene transferase amino acid sequence Article binding affinity binding site catalysis comparative study crystal structure enzyme activity enzyme binding enzyme specificity enzyme structure mathematical computing measurement accuracy molecular docking molecular mechanics mutagenesis prediction protein function biology chemistry metabolism protein engineering Alkyl and Aryl Transferases Computational Biology Intramolecular Lyases Intramolecular Transferases Molecular Docking Simulation Protein Engineering Terpenes 10.1371/journal.pcbi.1003874 PLoS Computational Biology 10 10 Jan-16 2019-11-08T08:49:19Z 2019-11-08T08:49:19Z 2014 Article Tian B.-X., Wallrapp F.H., Holiday G.L., Chow J.-Y., Babbitt P.C., Poulter C.D., Jacobson M.P. (2014). Predicting the Functions and Specificity of Triterpenoid Synthases: A Mechanism-Based Multi-intermediate Docking Approach. PLoS Computational Biology 10 (10) : Jan-16. ScholarBank@NUS Repository. https://doi.org/10.1371/journal.pcbi.1003874 1553734X https://scholarbank.nus.edu.sg/handle/10635/161945 Attribution 4.0 International http://creativecommons.org/licenses/by/4.0/ Unpaywall 20191101
institution	National University of Singapore
building	NUS Library
continent	Asia
country	Singapore Singapore
content_provider	NUS Library
collection	ScholarBank@NUS
topic	triterpenoid triterpenoid synthase unclassified drug isomerase mutase pinene cyclase I squalene-hopene cyclase terpene transferase amino acid sequence Article binding affinity binding site catalysis comparative study crystal structure enzyme activity enzyme binding enzyme specificity enzyme structure mathematical computing measurement accuracy molecular docking molecular mechanics mutagenesis prediction protein function biology chemistry metabolism protein engineering Alkyl and Aryl Transferases Computational Biology Intramolecular Lyases Intramolecular Transferases Molecular Docking Simulation Protein Engineering Terpenes
spellingShingle	triterpenoid triterpenoid synthase unclassified drug isomerase mutase pinene cyclase I squalene-hopene cyclase terpene transferase amino acid sequence Article binding affinity binding site catalysis comparative study crystal structure enzyme activity enzyme binding enzyme specificity enzyme structure mathematical computing measurement accuracy molecular docking molecular mechanics mutagenesis prediction protein function biology chemistry metabolism protein engineering Alkyl and Aryl Transferases Computational Biology Intramolecular Lyases Intramolecular Transferases Molecular Docking Simulation Protein Engineering Terpenes Tian B.-X. Wallrapp F.H. Holiday G.L. Chow J.-Y. Babbitt P.C. Poulter C.D. Jacobson M.P. Predicting the Functions and Specificity of Triterpenoid Synthases: A Mechanism-Based Multi-intermediate Docking Approach
description	10.1371/journal.pcbi.1003874
author2	BIOCHEMISTRY
author_facet	BIOCHEMISTRY Tian B.-X. Wallrapp F.H. Holiday G.L. Chow J.-Y. Babbitt P.C. Poulter C.D. Jacobson M.P.
format	Article
author	Tian B.-X. Wallrapp F.H. Holiday G.L. Chow J.-Y. Babbitt P.C. Poulter C.D. Jacobson M.P.
author_sort	Tian B.-X.
title	Predicting the Functions and Specificity of Triterpenoid Synthases: A Mechanism-Based Multi-intermediate Docking Approach
title_short	Predicting the Functions and Specificity of Triterpenoid Synthases: A Mechanism-Based Multi-intermediate Docking Approach
title_full	Predicting the Functions and Specificity of Triterpenoid Synthases: A Mechanism-Based Multi-intermediate Docking Approach
title_fullStr	Predicting the Functions and Specificity of Triterpenoid Synthases: A Mechanism-Based Multi-intermediate Docking Approach
title_full_unstemmed	Predicting the Functions and Specificity of Triterpenoid Synthases: A Mechanism-Based Multi-intermediate Docking Approach
title_sort	predicting the functions and specificity of triterpenoid synthases: a mechanism-based multi-intermediate docking approach
publishDate	2019
url	https://scholarbank.nus.edu.sg/handle/10635/161945
_version_	1800913828079206400

Predicting the Functions and Specificity of Triterpenoid Synthases: A Mechanism-Based Multi-intermediate Docking Approach

Similar Items