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Protocols

SeeSAR specifications

Information


Unique identifier OMICS_20178
Name SeeSAR
Software type Application/Script
Interface Graphical user interface
Restrictions to use License purchase required
Operating system Unix/Linux, Mac OS, Windows
Computer skills Medium
Version 8.0
Stability Stable
Requirements
OpenGL
Free trial Yes
Registration required Yes
Maintained Yes

Subtool


  • HYDE

Versioning


No version available

Documentation


Additional information


https://www.biosolveit.de/faq/categories/SeeSAR/

SeeSAR citations

 (3)
call_split

Glucansucrase (mutant) enzymes from Lactobacillus reuteri 180 efficiently transglucosylate Stevia component rebaudioside A, resulting in a superior taste

2018
Sci Rep
PMCID: 5784128
PMID: 29367749
DOI: 10.1038/s41598-018-19622-5
call_split See protocol

[…] sed (maximum allowed overlap volume: 2 Å) and the maximum number of solutions per fragmentation was increased to 400. In total, 30 poses were generated with LeadIT, using the scoring function HYDE in SeeSAR, ranked according to their estimated affinity; finally, poses with torsions flagged in red were removed. Visual inspection of the residual poses and deletion of unreliable poses resulted in a t […]

call_split

Inhibition of the mechano enzymatic amyloidogenesis of transthyretin: role of ligand affinity, binding cooperativity and occupancy of the inner channel

2017
Sci Rep
PMCID: 5428290
PMID: 28298647
DOI: 10.1038/s41598-017-00338-x
call_split See protocol

[…] respectively) were examined using VMD, SPDBV, and Pymol (PyMOL Molecular Graphics System, Version 1.8 Schrödinger, LLC). The energetic contribution of the linker to the binding was estimated by the SeeSAR programme (https://www.biosolveit.de/SeeSAR). The halogen binding pockets considered in the analysis are formed by Met13, Lys15, Leu17, Thr106, Ala108, Val121 (HBP1); Lys17, Ala108, Ala109, Leu […]

library_books

A Role for Fragment Based Drug Design in Developing Novel Lead Compounds for Central Nervous System Targets

2015
PMCID: 4566055
PMID: 26441817
DOI: 10.3389/fneur.2015.00197

[…] Group) software; the latter can be used to cluster FTrees results by topology (). The fragment space extension module FTrees-FS allow a search of 1018 compounds in 5 min. BioSolveIT’s structure-based SeeSAR module provides receptor-binding affinity ­estimates that indicate atomic contributions within the compound, ranking hit compounds (also against known ligands, if desirable) even while they are […]

Citations

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SeeSAR institution(s)
Institute for Algorithms and Scientific Computing (SCAI), German National Research Center for Information Technology (GMD), Schloß Birlinghoven, Sankt Augustin, Germany

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