Molinspiration protocols

Molinspiration specifications

Information


Unique identifier OMICS_05002
Name Molinspiration
Interface Web user interface
Restrictions to use None
Computer skills Basic
Stability Stable
Maintained Yes

Documentation


Information


Unique identifier OMICS_05002
Name Molinspiration
Software type Application/Script
Interface Graphical user interface
Restrictions to use License purchase required
Operating system Unix/Linux, Mac OS, Windows
Programming languages Java
Computer skills Medium
Stability Stable

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Documentation


Molinspiration IN pipelines

 (3)
2017
PMCID: 5669090
PMID: 29142407
DOI: 10.4103/pm.pm_195_16

[…] were prepared using ucsf chimera software (www.cgi.ucsf.edu/chimera) for autodock 4.2, whereas in the case of cdocker inbuild protein preparation protocol (accelrys, san diego, usa) was adopted., molinspiration online database was used for the two selected ligands to calculate thirteen descriptors (www.molinspiration.com) which are logp, polar surface area, molecular weight (mw), number […]

2016
PMCID: 4791994
PMID: 27041853
DOI: 10.4103/0973-1296.176111

[…] for xo, where c chain) was preprocessed separately by deleting other chains (b, c, and d), ligand, as well as the crystallographically observed water molecules (water without hydrogen bonds)., molinspiration online database was used for all the selected twelve ligands to calculate thirteen descriptors (www.molinspiration.com) which are log p, polar surface area, molecular weight, number […]

2016
PMCID: 4791994
PMID: 27041853
DOI: 10.4103/0973-1296.176111

[…] the crystallographically observed water molecules (water without hydrogen bonds)., molinspiration online database was used for all the selected twelve ligands to calculate thirteen descriptors (www.molinspiration.com) which are log p, polar surface area, molecular weight, number of atoms, number of o or n, number of oh or nh, number of rotatable bonds, volume, drug likeness including g protein […]

Molinspiration institution(s)
Molinspiration Cheminformatics, Nova ulica, Slovensky Grob, Slovakia

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