In silico investigation of PARP-1 catalytic domains in holo and apo states for the design of high-affinity PARP-1 inhibitors

Ramin Ekhteiari Salmas; Ayhan Unlu; Mine Yurtsever; Sergei Y. Noskov; Serdar Durdagi

doi:10.3109/14756366.2015.1005011

In silico investigation of PARP-1 catalytic domains in holo and apo states for the design of high-affinity PARP-1 inhibitors

Ramin Ekhteiari Salmas, Ayhan Unlu, Mine Yurtsever, Sergei Y. Noskov, Serdar Durdagi

Chemistry

Research output: Contribution to journal › Article › peer-review

20 Citations (Scopus)

Original language	English
Pages (from-to)	112-120
Journal	JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
Volume	31
Issue number	1
DOIs	https://doi.org/10.3109/14756366.2015.1005011
Publication status	Published - 2 Jan 2016

Keywords

MD simulations
molecular modeling
PARP-1

Access to Document

10.3109/14756366.2015.1005011

Cite this

@article{b30dc8693df74e3dad5df618b051e045,

title = "In silico investigation of PARP-1 catalytic domains in holo and apo states for the design of high-affinity PARP-1 inhibitors",

keywords = "MD simulations, molecular modeling, PARP-1",

author = "Salmas, {Ramin Ekhteiari} and Ayhan Unlu and Mine Yurtsever and Noskov, {Sergei Y.} and Serdar Durdagi",

year = "2016",

month = jan,

day = "2",

doi = "10.3109/14756366.2015.1005011",

language = "English",

volume = "31",

pages = "112--120",

journal = "JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY",

issn = "1475-6366",

publisher = "Informa Healthcare",

number = "1",

}

TY - JOUR

T1 - In silico investigation of PARP-1 catalytic domains in holo and apo states for the design of high-affinity PARP-1 inhibitors

AU - Salmas, Ramin Ekhteiari

AU - Unlu, Ayhan

AU - Yurtsever, Mine

AU - Noskov, Sergei Y.

AU - Durdagi, Serdar

PY - 2016/1/2

Y1 - 2016/1/2

KW - MD simulations

KW - molecular modeling

KW - PARP-1

U2 - 10.3109/14756366.2015.1005011

DO - 10.3109/14756366.2015.1005011

M3 - Article

SN - 1475-6366

VL - 31

SP - 112

EP - 120

JO - JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

JF - JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

IS - 1

ER -