LigPrep protocols

LigPrep specifications


Unique identifier OMICS_18799
Name LigPrep
Software type Package/Module
Interface Graphical user interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Computer skills Medium
Stability Stable
Maintained Yes


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  • person_outline QikProp Team <>

Additional information

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LigPrep IN pipelines

PMCID: 5500575
PMID: 28684785
DOI: 10.1038/s41598-017-05058-w

[…] dose-response affinity or activity values (k i, pk i, ec50, pec50, ic50 and pic50), and the highest assay confidence scores: 8 or 9. the screening database, emolecules plus65, was prepared with ligprep66 to desalt, add hydrogen atoms and generate tautomers, stereoisomers (max 32) and 3d conformations (max 10 ring conformations). epik and the opls 2005 force field were applied to generate […]

PMCID: 3880490
PMID: 24366428
DOI: 10.1007/s10822-013-9698-7

[…] resolution (å), all ligands submitted to docking simulations of case studies i to iii were either extracted from the zinc database or downloaded from the dud in mol2 format and prepared using the ligprep [40] tool from schrödinger. chemical structures were submitted to generation of stereoisomers and alternative ring conformations. the tool epik [41–43] was used to produce different […]

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