PL-PatchSurfer specifications


Unique identifier OMICS_29283
Name PL-PatchSurfer
Alternative names Protein-Ligand PatchSurfer, PL-PatchSurfer2
Software type Application/Script
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Programming languages Python
Computer skills Advanced
Stability Stable
Maintained Yes




No version available


  • person_outline Daisuke Kihara

Publications for Protein-Ligand PatchSurfer

PL-PatchSurfer citation


Three Dimensional Compound Comparison Methods and Their Application in Drug Discovery

PMCID: 5005041
PMID: 26193243
DOI: 10.3390/molecules200712841

[…] ILES [], SMARTS []2D representations: e.g. BCI [], RASCAL [], MOLPRINT2D [], and SIMCOMP [], which use two-dimensional structure fingerprint or graph matching3D representations: e.g. ROCS [], USR [], PL-PatchSurfer [], FieldScreen [] that use 3D features such as volume, atomic distances, surfaces, or fields.Historically, 1D and 2D methods have been widely in part because chemical molecules are typ […]

PL-PatchSurfer institution(s)
Department of Biological Science, Purdue University, West Lafayette, IN, USA; Department of Computer Science, Purdue University, West Lafayette, IN, USA; Discovery Chemistry Research and Technologies, Eli Lilly and Company, Indianapolis, IN, USA
PL-PatchSurfer funding source(s)
Supported by a grant from the Lilly Research Award Program, the National Institute of General Medical Sciences of the National Institutes of Health (R01GM097528), and the National Science Foundation (IIS1319551, DBI1262189, IOS1127027).

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