Metadynamics Simulations of Enantioselective Acylation Give Insights into the Catalytic Mechanism of Burkholderia cepacia Lipase-Reference-Cited by-同舟云学术

Metadynamics Simulations of Enantioselective Acylation Give Insights into the Catalytic Mechanism of Burkholderia cepacia Lipase

Published:2010-03-11 Issue:4 Volume:6 Page:1145-1156
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Bellucci Luca¹,Laino Teodoro¹,Tafi Andrea¹,Botta Maurizio¹

Affiliation:

1. Dipartimento Farmaco Chimico Tecnologico, Università degli Studi di Siena, Via Aldo Moro 2, I-53100 Siena, Italy, Physikalisch Chemisches Institut, Universität Zürich, Winterthurerstrasse 190, CH-8057 Zürich Switzerland, and IBM Zurich Research Laboratory, Säumerstrasse 4, CH-8803 Rüschlikon Switzerland

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct900636w

Reference84 articles.

1. Serine Protease Mechanism and Specificity

2. Three-dimensional Structure of Tosyl-α-chymotrypsin

3. Acetylcholinesterase: enzyme structure, reaction dynamics, and virtual transition states

4. Efficacy of Cholinesterase Inhibitors in the Treatment of Neuropsychiatric Symptoms and Functional Impairment in Alzheimer Disease

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. The Q41R mutation in the HCV-protease enhances the reactivity towards MAVS by suppressing non-reactive pathways;Physical Chemistry Chemical Physics;2022

2. Study on Lipase-Catalyzed Hydrolysis of Olive Oil at Oil-Water Interface;Tenside Surfactants Detergents;2020-05-15

3. In Memory of Maurizio Botta: His Contribution to the Development of Computer-Aided Drug Design;Journal of Chemical Information and Modeling;2019-12-05

4. Origins of Enantiopreference of Mycobacterium smegmatis Acyl Transferase: A Computational Analysis;Chemistry – A European Journal;2019-08-21

5. Molecular Basis for the Enantio- and Diastereoselectivity ofBurkholderia cepaciaLipase toward γ-Butyrolactone Primary Alcohols;Advanced Synthesis & Catalysis;2014-11-05