Analysis of polarization in QM/MM modelling of biologically relevant hydrogen bonds

SK Kittusamy; JI Mujika; KE Ranaghan; FR Manby; AJ Mulholland; JN Harvey

doi:10.1098/rsif.2008.0243.focus

Analysis of polarization in QM/MM modelling of biologically relevant hydrogen bonds

SK Kittusamy, JI Mujika, KE Ranaghan, FR Manby, AJ Mulholland, JN Harvey

School of Chemistry

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

54 Citations (Scopus)

Translated title of the contribution	Analysis of polarization in QM/MM modelling of biologically relevant hydrogen bonds
Original language	English
Pages (from-to)	S207 - S216
Number of pages	10
Journal	Journal of the Royal Society Interface
Volume	5
DOIs	https://doi.org/10.1098/rsif.2008.0243.focus
Publication status	Published - Dec 2008

Bibliographical note

Publisher: Royal Society of London

Research Groups and Themes

Physical & Theoretical

Access to Document

10.1098/rsif.2008.0243.focus

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Persistent link

COMPUTATIONAL BIOCHEMISTRY: PREDICTIVE MODELLING FOR BIOLOGY AND MEDICINE
Mulholland, A. J. (Principal Investigator)
1/10/08 → 1/04/14
Project: Research

Cite this

@article{80b557a86a8d4da7958f64bb2ccbeaee,

title = "Analysis of polarization in QM/MM modelling of biologically relevant hydrogen bonds",

author = "SK Kittusamy and JI Mujika and KE Ranaghan and FR Manby and AJ Mulholland and JN Harvey",

note = "Publisher: Royal Society of London",

year = "2008",

month = dec,

doi = "10.1098/rsif.2008.0243.focus",

language = "English",

volume = "5",

pages = "S207 -- S216",

journal = "Journal of the Royal Society Interface",

issn = "1742-5689",

publisher = "Royal Society Publishing",

}

TY - JOUR

T1 - Analysis of polarization in QM/MM modelling of biologically relevant hydrogen bonds

AU - Kittusamy, SK

AU - Mujika, JI

AU - Ranaghan, KE

AU - Manby, FR

AU - Mulholland, AJ

AU - Harvey, JN

N1 - Publisher: Royal Society of London

PY - 2008/12

Y1 - 2008/12

U2 - 10.1098/rsif.2008.0243.focus

DO - 10.1098/rsif.2008.0243.focus

M3 - Article (Academic Journal)

C2 - 18782723

SN - 1742-5689

VL - 5

SP - S207 - S216

JO - Journal of the Royal Society Interface

JF - Journal of the Royal Society Interface

ER -

Analysis of polarization in QM/MM modelling of biologically relevant hydrogen bonds

Bibliographical note

Research Groups and Themes

Access to Document

Handle.net

Projects

COMPUTATIONAL BIOCHEMISTRY: PREDICTIVE MODELLING FOR BIOLOGY AND MEDICINE

Cite this