BIOVIA Draw protocols

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BIOVIA Draw statistics

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BIOVIA Draw specifications

Information


Unique identifier OMICS_04965
Name BIOVIA Draw
Alternative name Accelrys Draw
Software type Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Programming languages Java
License Commercial
Computer skills Advanced
Stability Stable
Maintained Yes

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BIOVIA Draw in pipeline

2012
PMCID: 3374357
PMID: 22715301
DOI: 10.6026/97320630008466

[…] verified by structural analysis and verification server (saves) to evaluate its stereo-chemical quality [, ]., the structures of 14 phyto-ligands and 1 antibiotic, ciprofloxacin, were sketched with accelrys draw (v4.0). each structure was launched in ligprep (schrödinger) and energy minimized using the opls force field and geometrically optimized followed by lipinski's values/adme-tox […]


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BIOVIA Draw in publications

 (9)
PMCID: 5840146
PMID: 29552556
DOI: 10.3389/fchem.2018.00041

[…] small hydrophobic niche in the cavity (green sector in figures ). the 2d structures of the 3-phenylcoumarin scaffold and the 24 most potent inhibitor derivatives shown in figures , 2 were drawn with biovia draw 2016 (dassault systèmes, san diego, ca, usa, 2016). figures , were prepared using bodil (lehtonen et al., ) and vmd 1.9.2 (humphrey et al., ). the negative images of the mao-b and mao-a […]

PMCID: 5664374
PMID: 29312992
DOI: 10.1155/2017/2105610

[…] 2.4 å, respectively. the details of the interactions are tabulated in and the corresponding 2d structures of the hits are represented in . furthermore, their systemic iupac names were generated from biovia draw and are represented in ., mm/pbsa was adapted for the execution of the binding free energy calculations. 20 snapshots were evenly generated from 1 to 50 ns md trajectories [, ]. the bindin […]

PMCID: 5307489
PMID: 28286573
DOI: 10.1186/s13321-017-0196-0

[…] or from file or line-notation input. in marvinsketch 16.4.18.0 entering ac using the periodic table menu or keyboard short-cuts results in actinium whilst using the “label editor” produces acetyl. biovia draw 2017 makes a clear distinction when adding abbreviated atoms and both interpretations can be input. chemdoodle 7.0.2 always interprets ac as actiniumwhen setting the atom label […]

PMCID: 4926453
PMID: 27304951
DOI: 10.3390/ijms17060920

[…] = −rtln(ic50), ic50 values of inhibitors were converted to binding free energies (δgexp). structures of inhibitors and biological activities (ic50) were shown in . the compounds were drawn through accelrys draw v4.1 [,] to get smile formats, and simultaneously through accelrys discovery studio v4.1, the smile formats were converted to .sdf files. compounds were prepared using the “prepare […]

PMCID: 4603893
PMID: 26462111
DOI: 10.1371/journal.pone.0139236

[…] that inhibited hemagglutination for the control sera and as the minimal inhibitory concentration (mic) for aureonitol., to perform in silico studies, the structure of aureonitol was designed using accelrys draw 4.1 software (accelrys, inc), hydrogens were added and the geometry was optimized. aureonitol was docked into different regions of ha, encompassing the entire protein structure. […]


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