Journal of Biomolecular Structure and Dynamics

, volume 36 , issue 10 , pages 2508-2516

MM-GBSA and MM-PBSA performance in activity evaluation of AMPA receptor positive allosteric modulators

Dmitry S Karlov ^{1, 2}

Mstislav I. Lavrov ^{1, 2}

V. A. Palyulin ^{1, 2}

Nikolay S. Zefirov ^{1, 2}

Hide authors affiliations Show authors affiliations: 2 affiliations

Department of Chemistry, Lomonosov Moscow State University, 1 Build. 3, Leninskie Gory, Moscow, 119991 Russian Federation |

Institute of Physiologically Active Compounds, Russian Academy of Sciences, 1 Severny proezd, Chernogolovka, Moscow Region 142432, Russian Federation |

Publication type: Journal Article

Publication date: 2017-08-10

Taylor & Francis

Journal of Biomolecular Structure and Dynamics

scimago Q2

wos Q3

SJR: 0.552

CiteScore: 8.3

Impact factor: 2.4

ISSN: 07391102, 15380254

DOI: 10.1080/07391102.2017.1360208

Copy DOI

PubMed ID: 28749200

Molecular Biology

General Medicine

Structural Biology

Abstract

In recent years, much attention is paid to the development of new drugs targeted to the glutamatergic system, which is the major excitatory neurotransmitter system in mammalian brain (Traynelis et ...

Found

4 citations

Fedorov Maksim

150 publications, 7 214 citations

h-index: 40

Institute for Information Transmission Problems of the Russian Academy of Sciences

3 citations

Vasilenko Dmitry

🥼 🤝

PhD in Chemistry

34 publications, 293 citations

h-index: 10

Lomonosov Moscow State University

Research interests

Medicinal Chemistry

Organic Chemistry

1 citation

Burmistrov Vladimir

🥼 🤝

DSc in Chemistry, associate professor

86 publications, 607 citations

h-index: 13

Volgograd State Technical University

Research interests

Analytical Chemistry

Biochemistry

Gas chromatography (GS)

1 citation

Ustyugov Aleksey

🥼

DSc in Biological/biomedical sciences

83 publications, 1 044 citations, 21 reviews

h-index: 16

Institute of Physiologically Active Compounds of the Russian Academy of Science

Federal Research Center of Problem of Chemical Physics and Medicinal Chemistry RAS

Research interests

Medicinal Chemistry

Neurodegeneration

1 citation

Shulga Dmitry

🥼 🤝

PhD

34 publications, 220 citations, 68 reviews

h-index: 9

Lomonosov Moscow State University

Research interests

Algorithms

Chemoinformatics

Early development of low molecular weight drugs

Machine learning

Medicinal Chemistry

1 citation

Vernigora Andrey

🤝

27 publications, 127 citations

h-index: 7

Volgograd State Technical University

Research interests

Medicinal Chemistry

1 citation

Sadovnikov Kirill

PhD in Chemistry

17 publications, 98 citations

h-index: 7

A.V. Topchiev Institute of Petrochemical Synthesis RAS

Top-30

Journals

	1 2 3 4 5
Mendeleev Communications	Mendeleev Communications, 5, 16.67% Mendeleev Communications 5 publications, 16.67%
Molecules	Molecules, 3, 10% Molecules 3 publications, 10%
Journal of Biomolecular Structure and Dynamics	Journal of Biomolecular Structure and Dynamics, 3, 10% Journal of Biomolecular Structure and Dynamics 3 publications, 10%
ACS Omega	ACS Omega, 2, 6.67% ACS Omega 2 publications, 6.67%
Bioorganic and Medicinal Chemistry Letters	Bioorganic and Medicinal Chemistry Letters, 1, 3.33% Bioorganic and Medicinal Chemistry Letters 1 publication, 3.33%
Journal of Molecular Modeling	Journal of Molecular Modeling, 1, 3.33% Journal of Molecular Modeling 1 publication, 3.33%
Biomolecules	Biomolecules, 1, 3.33% Biomolecules 1 publication, 3.33%
Journal of Computer-Aided Molecular Design	Journal of Computer-Aided Molecular Design, 1, 3.33% Journal of Computer-Aided Molecular Design 1 publication, 3.33%
Molecular Neurobiology	Molecular Neurobiology, 1, 3.33% Molecular Neurobiology 1 publication, 3.33%
Computational Biology and Chemistry	Computational Biology and Chemistry, 1, 3.33% Computational Biology and Chemistry 1 publication, 3.33%
Bulletin of the Korean Chemical Society	Bulletin of the Korean Chemical Society, 1, 3.33% Bulletin of the Korean Chemical Society 1 publication, 3.33%
Journal of Chemical Information and Modeling	Journal of Chemical Information and Modeling, 1, 3.33% Journal of Chemical Information and Modeling 1 publication, 3.33%
MedChemComm	MedChemComm, 1, 3.33% MedChemComm 1 publication, 3.33%
RSC Medicinal Chemistry	RSC Medicinal Chemistry, 1, 3.33% RSC Medicinal Chemistry 1 publication, 3.33%
SAR and QSAR in Environmental Research	SAR and QSAR in Environmental Research, 1, 3.33% SAR and QSAR in Environmental Research 1 publication, 3.33%
International Journal of Molecular Sciences	International Journal of Molecular Sciences, 1, 3.33% International Journal of Molecular Sciences 1 publication, 3.33%
Biomeditsinskaya Khimiya	Biomeditsinskaya Khimiya, 1, 3.33% Biomeditsinskaya Khimiya 1 publication, 3.33%
Journal of Molecular Graphics and Modelling	Journal of Molecular Graphics and Modelling, 1, 3.33% Journal of Molecular Graphics and Modelling 1 publication, 3.33%
ChemistrySelect	ChemistrySelect, 1, 3.33% ChemistrySelect 1 publication, 3.33%
Molecular Diversity	Molecular Diversity, 1, 3.33% Molecular Diversity 1 publication, 3.33%
	1 2 3 4 5

Publishers

	1 2 3 4 5
OOO Zhurnal "Mendeleevskie Soobshcheniya"	OOO Zhurnal "Mendeleevskie Soobshcheniya", 5, 16.67% OOO Zhurnal "Mendeleevskie Soobshcheniya" 5 publications, 16.67%
MDPI	MDPI, 5, 16.67% MDPI 5 publications, 16.67%
Elsevier	Elsevier, 4, 13.33% Elsevier 4 publications, 13.33%
Springer Nature	Springer Nature, 4, 13.33% Springer Nature 4 publications, 13.33%
Taylor & Francis	Taylor & Francis, 4, 13.33% Taylor & Francis 4 publications, 13.33%
American Chemical Society (ACS)	American Chemical Society (ACS), 3, 10% American Chemical Society (ACS) 3 publications, 10%
Wiley	Wiley, 2, 6.67% Wiley 2 publications, 6.67%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 2, 6.67% Royal Society of Chemistry (RSC) 2 publications, 6.67%
Institute of Biochemistry	Institute of Biochemistry, 1, 3.33% Institute of Biochemistry 1 publication, 3.33%
	1 2 3 4 5

We do not take into account publications without a DOI.
Statistics recalculated weekly.

Are you a researcher?

Create a profile to get free access to personal recommendations for colleagues and new articles.

Metrics

Cite this

GOST |

Cite this

GOST Copy

Karlov D. S. et al. MM-GBSA and MM-PBSA performance in activity evaluation of AMPA receptor positive allosteric modulators // Journal of Biomolecular Structure and Dynamics. 2017. Vol. 36. No. 10. pp. 2508-2516.

GOST all authors (up to 50) Copy

Karlov D. S., Lavrov M. I., Palyulin V. A., Zefirov N. S. MM-GBSA and MM-PBSA performance in activity evaluation of AMPA receptor positive allosteric modulators // Journal of Biomolecular Structure and Dynamics. 2017. Vol. 36. No. 10. pp. 2508-2516.

RIS |

Cite this

RIS Copy

TY - JOUR

DO - 10.1080/07391102.2017.1360208

UR - https://doi.org/10.1080/07391102.2017.1360208

TI - MM-GBSA and MM-PBSA performance in activity evaluation of AMPA receptor positive allosteric modulators

T2 - Journal of Biomolecular Structure and Dynamics

AU - Karlov, Dmitry S

AU - Lavrov, Mstislav I.

AU - Palyulin, V. A.

AU - Zefirov, Nikolay S.

PY - 2017

DA - 2017/08/10

PB - Taylor & Francis

SP - 2508-2516

IS - 10

VL - 36

PMID - 28749200

SN - 0739-1102

SN - 1538-0254

ER -

BibTex |

Cite this

BibTex (up to 50 authors) Copy

@article{2017_Karlov,

author = {Dmitry S Karlov and Mstislav I. Lavrov and V. A. Palyulin and Nikolay S. Zefirov},

title = {MM-GBSA and MM-PBSA performance in activity evaluation of AMPA receptor positive allosteric modulators},

journal = {Journal of Biomolecular Structure and Dynamics},

year = {2017},

volume = {36},

publisher = {Taylor & Francis},

month = {aug},

url = {https://doi.org/10.1080/07391102.2017.1360208},

number = {10},

pages = {2508--2516},

doi = {10.1080/07391102.2017.1360208}

}

MLA

Cite this

MLA Copy

Karlov, Dmitry S., et al. “MM-GBSA and MM-PBSA performance in activity evaluation of AMPA receptor positive allosteric modulators.” Journal of Biomolecular Structure and Dynamics, vol. 36, no. 10, Aug. 2017, pp. 2508-2516. https://doi.org/10.1080/07391102.2017.1360208.

Publisher

Taylor & Francis

Journal

Journal of Biomolecular Structure and Dynamics

scimago Q2

wos Q3

SJR

0.552

CiteScore

8.3

Impact factor

2.4

ISSN

07391102 (Print)

15380254 (Electronic)