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

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

238 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

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10.1002/anie.200602711

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

Cite this

@article{3baebd1850fb41af9f943eabd380b808,

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 = "1433-7851",

publisher = "Wiley-VCH Verlag",

}

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 - 1433-7851

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

Access to Document

Handle.net

Projects

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

Cite this