Inclusion of Dispersion Effects Significantly Improves Accuracy of Calculated Reaction Barriers for Cytochrome P450 Catalyzed Reactions

R Lonsdale; J.N Harvey; A.J Mulholland

doi:10.1021/jz101279n

Inclusion of Dispersion Effects Significantly Improves Accuracy of Calculated Reaction Barriers for Cytochrome P450 Catalyzed Reactions

R Lonsdale, J.N Harvey, A.J Mulholland

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

134 Citations (Scopus)

Translated title of the contribution	Inclusion of Dispersion Effects Significantly Improves Accuracy of Calculated Reaction Barriers for Cytochrome P450 Catalyzed Reactions
Original language	English
Pages (from-to)	3232 - 3237
Number of pages	5
Journal	Journal of Physical Chemistry Letters
Volume	1
Issue number	21
DOIs	https://doi.org/10.1021/jz101279n
Publication status	Published - 2010

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10.1021/jz101279n

http://pubs.acs.org/doi/abs/10.1021/jz101279n

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title = "Inclusion of Dispersion Effects Significantly Improves Accuracy of Calculated Reaction Barriers for Cytochrome P450 Catalyzed Reactions",

author = "R Lonsdale and J.N Harvey and A.J Mulholland",

year = "2010",

doi = "10.1021/jz101279n",

language = "English",

volume = "1",

pages = "3232 -- 3237",

journal = "Journal of Physical Chemistry Letters",

issn = "1948-7185",

publisher = "American Chemical Society",

number = "21",

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T1 - Inclusion of Dispersion Effects Significantly Improves Accuracy of Calculated Reaction Barriers for Cytochrome P450 Catalyzed Reactions

AU - Lonsdale, R

AU - Harvey, J.N

AU - Mulholland, A.J

PY - 2010

Y1 - 2010

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U2 - 10.1021/jz101279n

DO - 10.1021/jz101279n

M3 - Article (Academic Journal)

VL - 1

SP - 3232

EP - 3237

JO - Journal of Physical Chemistry Letters

JF - Journal of Physical Chemistry Letters

SN - 1948-7185

IS - 21

ER -

Inclusion of Dispersion Effects Significantly Improves Accuracy of Calculated Reaction Barriers for Cytochrome P450 Catalyzed Reactions

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COMPUTATIONAL BIOCHEMISTRY: PREDICTIVE MODELLING FOR BIOLOGY AND MEDICINE

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Inclusion of Dispersion Effects Significantly Improves Accuracy of Calculated Reaction Barriers for Cytochrome P450 Catalyzed Reactions

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COMPUTATIONAL BIOCHEMISTRY: PREDICTIVE MODELLING FOR BIOLOGY AND MEDICINE

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