Exploring <i>Solanum tuberosum</i> Epoxide Hydrolase Internal Architecture by Water Molecules Tracking

Exploring <i>Solanum tuberosum</i> Epoxide Hydrolase Internal Architecture by Water Molecules Tracking

Several different approaches are used to describe the role of protein compartments and residues in catalysis and to identify key residues suitable for the modification of the activity or selectivity of the desired enzyme. In our research, we applied a combination of molecular dynamics simulations an...

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Bibliographic Details
Main Authors: Karolina Mitusińska, Tomasz Magdziarz, Maria Bzówka, Agnieszka Stańczak, Artur Góra
Format: Article
Language:English
Published: MDPI AG 2018-11-01
Series:Biomolecules
Subjects:
epoxide hydrolases
cavities
tunnels
water trajectories
protein engineering
MD simulations
AQUA-DUCT
hot-spot
Online Access:https://www.mdpi.com/2218-273X/8/4/143

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