Pharmit statistics

You need an account to access this content

info

Citations per year

Citations chart
info

Popular tool citations

chevron_left Structure-based virtual screening Ligand-based virtual screening chevron_right
Popular tools chart
info

Tool usage distribution map

Tool usage distribution map
info

Associated diseases

Associated diseases

Pharmit specifications

Information


Unique identifier OMICS_12316
Name Pharmit
Interface Web user interface
Restrictions to use None
Input data The typical starting point for a Pharmit session is a ligand-receptor complex structure, although a ligand-only structure or pharmacophore query file may be used as well. A Pharmit session can be automatically initialized using any complex in the PDB by imputing the corresponding PDB accession code on the Pharmit main page and selecting how active site water molecules should be treated (ignored, as part of the receptor, or as part of the ligand).
Output data Results in increasing or decreasing order based on RMSD (for pharmacophore searches), similarity score (for shape searches), molecular weight, or number of rotatable bonds, view of query-aligned compounds in the molecular viewer
Programming languages Python
License BSD 3-clause “New” or “Revised” License, GNU General Public License version 2.0
Computer skills Basic
Stability Stable
Maintained Yes

Documentation


Maintainer


  • person_outline David Ryan Koes <>

Information


Unique identifier OMICS_12316
Name Pharmit
Software type Package/Module
Interface Graphical user interface
Restrictions to use None
Input data PDB accession code, receptor/ligand files, pharmacophore generated from an external source
Output data Results in increasing or decreasing order based on RMSD (for pharmacophore searches), similarity score (for shape searches), molecular weight, or number of rotatable bonds, view of query-aligned compounds in the molecular viewer
Operating system Unix/Linux
Programming languages Python
License BSD 3-clause “New” or “Revised” License, GNU General Public License version 2.0
Computer skills Medium
Stability Stable
Maintained Yes

Download


Versioning


Add your version

Documentation


Maintainer


  • person_outline David Ryan Koes <>

Publication for Pharmit

Pharmit in publication

PMCID: 5353334
PMID: 28255093
DOI: 10.1136/bmjopen-2016-013190

[…] and that they should either go to a doctor or buy medicine for two more days. if they agree, then fine. if they don't agree, then i have to dispense according to their demands. participant 7, d pharmit happens if they do not have enough money. if they have enough money, then they will buy the complete course. [how often?] it happens in about sixty percent of the cases. […] i sell […]

Pharmit institution(s)
Department of Computational and Systems Biology, University of Pittsburgh, Pittsburgh, PA, USA
Pharmit funding source(s)
Pharmit is funded through R01GM108340 from the National Institute of General Medical Sciences.

Pharmit reviews

star_border star_border star_border star_border star_border
star star star star star

Be the first to review Pharmit