Exploration of biochemical reactivity with a QM/MM growing string method-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Exploration of biochemical reactivity with a QM/MM growing string method

Published:2024 Issue:7 Volume:26 Page:5999-6007
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

McFarlane Neil R.¹^ORCID,Harvey Jeremy N.¹^ORCID

Affiliation:

1. Department of Chemistry, KU Leuven, B-3001 Leuven, Celestijnenlaan 200f, 2404, Belgium

Abstract

This work highlights a novel method for obtaining QM/MM reaction pathways which are of high-quality, quickly obtainable, and require minimal user intervention. Testing for the Claisen rearrangement in chorismate mutase shows the value of the method.

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP05772K

Reference105 articles.

1. Flexibility, Diversity, and Cooperativity: Pillars of Enzyme Catalysis

2. A Biophysical Perspective on Enzyme Catalysis

3. Mechanistic enzymology in drug discovery: a fresh perspective

4. Drug discovery for enzymes

5. Biocatalysis explained: from pharmaceutical to bulk chemical production

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370

www.globalauthorid.com

TOP