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The Reaction Coordinate of a Bacterial GH47 α-Mannosidase: A Combined Quantum Mechanical and Structural Approach

Research output: Contribution to journal › Article › peer-review

Published copy (DOI)

10.1002/anie.201205338

Author(s)

Andrew J. Thompson
Jerome Dabin
Javier Iglesias-Fernandez
Albert Ardevol
Zoran Dinev
Spencer J. Williams
Omprakash Bande
Aloysius Siriwardena
Carl Moreland
Ting-Chou Hu
David K. Smith
Harry J. Gilbert
Carme Rovira
Gideon J. Davies

Department/unit(s)

Chemistry

Publication details

Journal	Angewandte Chemie International Edition
Date	Published - 29 Oct 2012
Issue number	44
Volume	51
Number of pages	5
Pages (from-to)	10997-11001
Original language	English

Research areas

1,3-1,4-BETA-GLUCANASE, enzyme mechanisms, FREE-ENERGY LANDSCAPE, BETA-D-MANNOPYRANOSE, conformation analysis, glycosidase inhibitor, ENDOPLASMIC-RETICULUM, mannose, MOLECULAR-DYNAMICS SIMULATIONS, TRANSITION-STATE, CATALYTIC ITINERARY, RETICULUM QUALITY-CONTROL, SPECIFICITY, computational chemistry, ALPHA-1,2-MANNOSIDASES

Projects

Dissection of alpha mannosidases from reaction corodinate to inhibition
Project: Research project (funded) › Research

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The Reaction Coordinate of a Bacterial GH47 α-Mannosidase: A Combined Quantum Mechanical and Structural Approach

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