Comparison of different quantum mechanical/molecular mechanics boundary treatments in the reaction of the hepatitis C virus NS3 protease with the NS5A/5B substrate

A Rodriguez; C Oliva; M Gonzalez; MW Van der Kamp; AJ Mulholland

doi:10.1021/jp0743469

Comparison of different quantum mechanical/molecular mechanics boundary treatments in the reaction of the hepatitis C virus NS3 protease with the NS5A/5B substrate

A Rodriguez, C Oliva, M Gonzalez, MW Van der Kamp, AJ Mulholland

School of Chemistry

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

31 Citations (Scopus)

Translated title of the contribution	Comparison of different quantum mechanical/molecular mechanics boundary treatments in the reaction of the hepatitis C virus NS3 protease with the NS5A/5B substrate
Original language	English
Pages (from-to)	12909 - 12915
Number of pages	7
Journal	Journal of Physical Chemistry B
Volume	111 (44)
DOIs	https://doi.org/10.1021/jp0743469
Publication status	Published - Aug 2007

Research Groups and Themes

Physical & Theoretical

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This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1021/jp0743469

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Cite this

@article{963b94eb1235422bb6ddfb428d92529d,

title = "Comparison of different quantum mechanical/molecular mechanics boundary treatments in the reaction of the hepatitis C virus NS3 protease with the NS5A/5B substrate",

author = "A Rodriguez and C Oliva and M Gonzalez and \{Van der Kamp\}, MW and AJ Mulholland",

year = "2007",

month = aug,

doi = "10.1021/jp0743469",

language = "English",

volume = "111 (44)",

pages = "12909 -- 12915",

journal = "Journal of Physical Chemistry B",

issn = "1520-5207",

publisher = "American Chemical Society",

}

Comparison of different quantum mechanical/molecular mechanics boundary treatments in the reaction of the hepatitis C virus NS3 protease with the NS5A/5B substrate. / Rodriguez, A; Oliva, C; Gonzalez, M et al.
In: Journal of Physical Chemistry B, Vol. 111 (44), 08.2007, p. 12909 - 12915.

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

TY - JOUR

T1 - Comparison of different quantum mechanical/molecular mechanics boundary treatments in the reaction of the hepatitis C virus NS3 protease with the NS5A/5B substrate

AU - Rodriguez, A

AU - Oliva, C

AU - Gonzalez, M

AU - Van der Kamp, MW

AU - Mulholland, AJ

PY - 2007/8

Y1 - 2007/8

U2 - 10.1021/jp0743469

DO - 10.1021/jp0743469

M3 - Article (Academic Journal)

SN - 1520-5207

VL - 111 (44)

SP - 12909

EP - 12915

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

ER -