High-accuracy computation of reaction barriers in enzymes

F Claeyssens; JN Harvey; FR Manby; RA Mata; AJ Mulholland; KE Ranaghan; M Schuetz; S Thiel; W Thiel; H-J Werner

doi:10.1002/anie.200602711

High-accuracy computation of reaction barriers in enzymes

F Claeyssens
, JN Harvey
, FR Manby
, RA Mata
, AJ Mulholland
, KE Ranaghan
, M Schuetz
, S Thiel
, W Thiel
, H-J Werner

School of Chemistry

Research output: Contribution to journal › Article (Academic Journal) › peer-review

257 Citations (Scopus)

Translated title of the contribution	High-accuracy computation of reaction barriers in enzymes
Original language	English
Pages (from-to)	6856 - 6859
Number of pages	3
Journal	Angewandte Chemie - International Edition
Volume	45 (41)
DOIs	https://doi.org/10.1002/anie.200602711
Publication status	Published - Sept 2006

Bibliographical note

Publisher: Wiley Velag

Research Groups and Themes

Physical & Theoretical

Access to Document

10.1002/anie.200602711

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Persistent link

DEVELOPMENT OF ACCURATE QM/MM METHODS FOR BIOMOLECULAR STRUCTURE AND REACTIVITY
Manby, F. R. (Principal Investigator)
11/08/05 → 11/08/09
Project: Research

Cite this

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title = "High-accuracy computation of reaction barriers in enzymes",

author = "F Claeyssens and JN Harvey and FR Manby and RA Mata and AJ Mulholland and KE Ranaghan and M Schuetz and S Thiel and W Thiel and H-J Werner",

note = "Publisher: Wiley Velag",

year = "2006",

month = sep,

doi = "10.1002/anie.200602711",

language = "English",

volume = "45 (41)",

pages = "6856 -- 6859",

journal = "Angewandte Chemie - International Edition",

issn = "1521-3773",

publisher = "John Wiley \& Sons, Ltd.",

}

TY - JOUR

T1 - High-accuracy computation of reaction barriers in enzymes

AU - Claeyssens, F

AU - Harvey, JN

AU - Manby, FR

AU - Mata, RA

AU - Mulholland, AJ

AU - Ranaghan, KE

AU - Schuetz, M

AU - Thiel, S

AU - Thiel, W

AU - Werner, H-J

N1 - Publisher: Wiley Velag

PY - 2006/9

Y1 - 2006/9

U2 - 10.1002/anie.200602711

DO - 10.1002/anie.200602711

M3 - Article (Academic Journal)

SN - 1521-3773

VL - 45 (41)

SP - 6856

EP - 6859

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

ER -

High-accuracy computation of reaction barriers in enzymes

Bibliographical note

Research Groups and Themes

Access to Document

Handle.net

Projects

DEVELOPMENT OF ACCURATE QM/MM METHODS FOR BIOMOLECULAR STRUCTURE AND REACTIVITY

Cite this