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DOVIS specifications

Information


Unique identifier OMICS_20539
Name DOVIS
Alternative name DOcking-based VIrtual Screening
Software type Pipeline/Workflow
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Programming languages C++, Perl, Python
License GNU General Public License version 3.0
Computer skills Advanced
Version 2.0.1
Stability Stable
Maintained Yes

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Maintainers


  • person_outline Jaques Reifman <>
  • person_outline Xiaohui Jiang <>
  • person_outline Kamal Kumar <>
  • person_outline Xin Hu <>
  • person_outline Anders Wallqvist <>

Publications for DOcking-based VIrtual Screening

DOVIS in publications

 (14)
PMCID: 5847068
PMID: 29181814
DOI: 10.1007/s00213-017-4785-4

[…] not include the last instruction to drink the alcohol (das et al. ). compliance to all instructions was confirmed by observing the participants., the complex chessboard task (fig. ), developed by dovis et al. (), is a visuospatial wm task based on the corsi block tapping task (corsi ) and the subtest letter-number sequencing from the wechsler adult intelligence scale (wais; wechsler ). […]

PMCID: 5751119
PMID: 29186809
DOI: 10.3390/ijms18122516

[…] were selected using the amber force field simulation and the generalized born solvation model []. , (3) screening the rna library with computational docking—a modified docking tool called dovis using autodock v4 [] was used to simulate interactions between all the generated rna three-dimensional structures and small molecule targets. docking was scored based on their calculated […]

PMCID: 5458272
PMID: 28389630
DOI: 10.18632/oncotarget.16738

[…] of the ph were discarded. at the end of this process ~6×105 compounds (~5×105 drug-like and ~1×105 lead-like) were kept. these virtual hits underwent a second docking-based filtering by means of the dovis docking tool []. all potential hits were docked into the tpx2-7-11 binding site of aurora-a, and the normal distribution of their scores (reported as predicted pki values) was derived. […]

PMCID: 4585646
PMID: 26381092
DOI: 10.1038/srep14246

[…] approximately 980 conformations were scored and analyzed., the monomeric structure of the myd88 tir domain was used for computational docking of small molecules. we used autodock 4.0 automated with dovis 2.0 to screen 5 million drug-like compounds from the zinc database against the myd88-myd88 binding interface determined from the top-scoring protein docking region. the small-molecule docking […]

PMCID: 4327067
DOI: 10.3390/s150101106

[…] dong, lei, dong, lili, dong, mingsheng, dong, tina t. x., dong, xiuzhu, dong, ying, dong, ze, dong-hwan, hwang, donzella, valentina, d’orazio, tiziana, dorsey, kristen l., douligeris, christos, dovis, fabio, drexler, petr, drobics, mario, drost, bertram, du burck, frederic, du, k.-l., du, ke, du, zhengchun, duan, fabing, duan, fajie, duan, haibin, duan, lian, duan, zhansheng, duann, […]


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DOVIS institution(s)
Biotechnology HPC Software Applications Institute, Telemedicine and Advanced Technology Research Center, U.S. Army Medical Research and Materiel Command, Fort Detrick, MD, USA
DOVIS funding source(s)
Supported by the U.S. Department of Defense High Performance Computing Modernization Program, under the High Performance Computing Software Applications Institutes initiative.

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