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MVD specifications

Information


Unique identifier OMICS_31995
Name MVD
Alternative name Molegro Virtual Docker
Software type Application/Script
Interface Graphical user interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Computer skills Medium
Stability Stable
Maintained Yes

Versioning


No version available

Maintainer


  • person_outline Rene Thomsen

Publication for Molegro Virtual Docker

MVD citations

 (134)
library_books

Various Bee Pheromones Binding Affinity, Exclusive Chemosensillar Localization, and Key Amino Acid Sites Reveal the Distinctive Characteristics of Odorant Binding Protein 11 in the Eastern Honey Bee, Apis cerana

2018
Front Physiol
PMCID: 5924804
PMID: 29740337
DOI: 10.3389/fphys.2018.00422

[…] volatiles were obtained from NCBI PubChem online (https://pubchem.ncbi.nlm.nih.gov/). The 3D structure of the strongest binding ligand was docked with the predicted crystal structure of OBP11 via the Molegro Virtual Docker (MVD) 4.2 (free trial). The MolDock Optimizer and MolDock Score was used as the search criteria and grading standards, respectively (René and Christensen, ). The best docking mo […]

call_split

Molecular dynamics simulation (MDS) analysis of Vibrio cholerae ToxT virulence factor complexed with docked potential inhibitors

2018
Bioinformation
PMCID: 5953856
DOI: 10.6026/97320630014101
call_split See protocol

[…] The 3D crystallography structure of ToxT from V. Cholera (PDB ID: 3GBG) was selected as the protein target in virtual screening model []. Molegro Virtual Docker (MVD) v 6.0 was used to calculate dock score and evaluate conformers. The DNA binding domain of ToxT identified and then the spherical virtual screening coordinate was located t […]

library_books

Functional Characteristics, Electrophysiological and Antennal Immunolocalization of General Odorant Binding Protein 2 in Tea Geometrid, Ectropis obliqua

2018
Int J Mol Sci
PMCID: 5877736
PMID: 29543772
DOI: 10.3390/ijms19030875

[…] sional (3D) conformer structure of candidate tea volatile was downloaded from the chemical compound database of PubChem []. The binding docking analysis of EoblGOBP2 with compound was performed using Molegro Virtual Docker (MVD 4.2 free trial) software []. By using the searching algorithm of MolDock Optimizer, the binding pose of the EoblGOBP2-compound complex was predicted based on the energetic […]

library_books

ANTIVIRAL ACTIVITY OF Justicia gendarussa Burm.f. LEAVES AGAINST HIV INFECTED MT 4 CELLS

2018
PMCID: 5876772
PMID: 29619428
DOI: 10.2101/Ajid.12v1S.4

[…] re. The structure of the HIV-1 reverse transcriptase receptor is obtained from Protein Data Bank (http://www.pdb.org/pdb/home/home.do) with 3V4I code. Molecular docking analysis is performed by using Molegro Virtual Docker (MVD) version 5.0 software. From molecular docking test, it obtains the rerank score. Then the rerank score is used as activity prediction. […]

library_books

IN SILICO SCREENING AND BIOLOGICAL EVALUATION OF THE COMPOUNDS OF Justicia gendarussa LEAVES EXTRACT AS INTERFERON GAMMA INDUCER: A STUDY OF ANTI HUMAN IMMUNODEFICIENCY VIRUS (HIV) DEVELOPMENT

2018
PMCID: 5876776
PMID: 29619445
DOI: 10.2101/Ajid.12v1S.21

[…] er the interferon exposure (Fensterl, 2009).In this study, the effect of 12 compounds in J. gendarussa leaves on the stimulation of IFN-γ was tested. The molecular docking test was performed by using Molegro Virtual Docker software to predict the interaction of alkaloid and flavonoid compounds of J. gendarussa leaves with IFN-γ receptor. Then the in vivo test on mice (Mus musculus) was also conduc […]

library_books

Zerumbone reduces proliferation of HCT116 colon cancer cells by inhibition of TNF alpha

2018
Sci Rep
PMCID: 5840388
PMID: 29511228
DOI: 10.1038/s41598-018-22362-1

[…] Human TNF-alpha (PDB ID: 5MU8) was retrieved from Protein Data Bank (http://www.rcsb.org/pdb/explore.do?structureId = 5mu8) and loaded in Molegro Virtual Docker 6.02 (MVD). The binding site was predicted and set at the coordinates (X: −21.51, Y: 18.21, Z: −1.82) (Fig.  of supplementary material). The residues surrounding the active site […]

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MVD institution(s)
Molegro ApS, Aarhus, Denmark

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