Identification of novel serotonin reuptake inhibitors targeting central and allosteric binding sites: A virtual screening and molecular dynamics simulations study

Ismail Erol; Busecan Aksoydan; Isik Kantarcioglu; Ramin E. Salmas; Serdar Durdagi

doi:10.1016/j.jmgm.2017.02.001

Identification of novel serotonin reuptake inhibitors targeting central and allosteric binding sites: A virtual screening and molecular dynamics simulations study

Ismail Erol, Busecan Aksoydan, Isik Kantarcioglu, Ramin E. Salmas, Serdar Durdagi

Chemistry

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

8 Citations (Scopus)

Original language	English
Pages (from-to)	193-202
Journal	JOURNAL OF MOLECULAR GRAPHICS AND MODELLING
Volume	74
DOIs	https://doi.org/10.1016/j.jmgm.2017.02.001
Publication status	Published - Jun 2017

Keywords

Serotonin (5HT) transporter
Molecular docking
Molecular dynamics (MD)
Virtual screening
MM/GBSA

Access to Document

10.1016/j.jmgm.2017.02.001

Cite this

@article{97b91ab3ed844ac890ef90115a66276c,

title = "Identification of novel serotonin reuptake inhibitors targeting central and allosteric binding sites: A virtual screening and molecular dynamics simulations study",

keywords = "Serotonin (5HT) transporter, Molecular docking, Molecular dynamics (MD), Virtual screening, MM/GBSA",

author = "Ismail Erol and Busecan Aksoydan and Isik Kantarcioglu and Salmas, {Ramin E.} and Serdar Durdagi",

year = "2017",

month = jun,

doi = "10.1016/j.jmgm.2017.02.001",

language = "English",

volume = "74",

pages = "193--202",

journal = "JOURNAL OF MOLECULAR GRAPHICS AND MODELLING",

issn = "1093-3263",

publisher = "Elsevier Inc.",

}

Identification of novel serotonin reuptake inhibitors targeting central and allosteric binding sites: A virtual screening and molecular dynamics simulations study. / Erol, Ismail; Aksoydan, Busecan; Kantarcioglu, Isik et al.
In: JOURNAL OF MOLECULAR GRAPHICS AND MODELLING, Vol. 74, 06.2017, p. 193-202.

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

TY - JOUR

T1 - Identification of novel serotonin reuptake inhibitors targeting central and allosteric binding sites: A virtual screening and molecular dynamics simulations study

AU - Erol, Ismail

AU - Aksoydan, Busecan

AU - Kantarcioglu, Isik

AU - Salmas, Ramin E.

AU - Durdagi, Serdar

PY - 2017/6

Y1 - 2017/6

KW - Serotonin (5HT) transporter

KW - Molecular docking

KW - Molecular dynamics (MD)

KW - Virtual screening

KW - MM/GBSA

U2 - 10.1016/j.jmgm.2017.02.001

DO - 10.1016/j.jmgm.2017.02.001

M3 - Article

SN - 1093-3263

VL - 74

SP - 193

EP - 202

JO - JOURNAL OF MOLECULAR GRAPHICS AND MODELLING

JF - JOURNAL OF MOLECULAR GRAPHICS AND MODELLING

ER -