MD Simulations Reveal Complex Water Paths in Squalene–Hopene Cyclase: Tunnel-Obstructing Mutations Increase the Flow of Water in the Active Site

MD Simulations Reveal Complex Water Paths in Squalene–Hopene Cyclase: Tunnel-Obstructing Mutations Increase the Flow of Water in the Active Site

Bibliographic Details
Main Authors: Camilla Gustafsson, Serguei Vassiliev, Charlotte Kürten, Per-Olof Syrén, Tore Brinck
Format: Article
Language:English
Published: American Chemical Society 2017-11-01
Series:ACS Omega
Online Access:http://dx.doi.org/10.1021/acsomega.7b01084
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spelling doaj-54996684daf84308a61a6dc04a6555762020-11-25T02:34:40ZengAmerican Chemical SocietyACS Omega2470-13432017-11-012118495850610.1021/acsomega.7b01084MD Simulations Reveal Complex Water Paths in Squalene–Hopene Cyclase: Tunnel-Obstructing Mutations Increase the Flow of Water in the Active SiteCamilla Gustafsson0Serguei Vassiliev1Charlotte Kürten2Per-Olof Syrén3Tore Brinck4Applied Physical Chemistry, School of Chemical Science and Engineering, KTH Royal Institute of Technology, Stockholm, SwedenDepartment of Biological Sciences, Brock University, St. Catharines, Ontario, CanadaScience for Life Laboratory, StockholmSchool of Biotechnology, Division of Proteomics and Nanobiotechnology, KTH Royal Institute of Technology, Solna, SwedenApplied Physical Chemistry, School of Chemical Science and Engineering, KTH Royal Institute of Technology, Stockholm, SwedenApplied Physical Chemistry, School of Chemical Science and Engineering, KTH Royal Institute of Technology, Stockholm, Swedenhttp://dx.doi.org/10.1021/acsomega.7b01084
collection DOAJ
language English
format Article
sources DOAJ
author Camilla Gustafsson
Serguei Vassiliev
Charlotte Kürten
Per-Olof Syrén
Tore Brinck
spellingShingle Camilla Gustafsson
Serguei Vassiliev
Charlotte Kürten
Per-Olof Syrén
Tore Brinck
MD Simulations Reveal Complex Water Paths in Squalene–Hopene Cyclase: Tunnel-Obstructing Mutations Increase the Flow of Water in the Active Site
ACS Omega
author_facet Camilla Gustafsson
Serguei Vassiliev
Charlotte Kürten
Per-Olof Syrén
Tore Brinck
author_sort Camilla Gustafsson
title MD Simulations Reveal Complex Water Paths in Squalene–Hopene Cyclase: Tunnel-Obstructing Mutations Increase the Flow of Water in the Active Site
title_short MD Simulations Reveal Complex Water Paths in Squalene–Hopene Cyclase: Tunnel-Obstructing Mutations Increase the Flow of Water in the Active Site
title_full MD Simulations Reveal Complex Water Paths in Squalene–Hopene Cyclase: Tunnel-Obstructing Mutations Increase the Flow of Water in the Active Site
title_fullStr MD Simulations Reveal Complex Water Paths in Squalene–Hopene Cyclase: Tunnel-Obstructing Mutations Increase the Flow of Water in the Active Site
title_full_unstemmed MD Simulations Reveal Complex Water Paths in Squalene–Hopene Cyclase: Tunnel-Obstructing Mutations Increase the Flow of Water in the Active Site
title_sort md simulations reveal complex water paths in squalene–hopene cyclase: tunnel-obstructing mutations increase the flow of water in the active site
publisher American Chemical Society
series ACS Omega
issn 2470-1343
publishDate 2017-11-01
url http://dx.doi.org/10.1021/acsomega.7b01084
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AT charlottekurten mdsimulationsrevealcomplexwaterpathsinsqualenehopenecyclasetunnelobstructingmutationsincreasetheflowofwaterintheactivesite
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