Sybyl
Sybyl is a comprehensive computational chemistry software platform developed by Certara. It provides a suite of tools for molecular modeling, drug design, and structure-based drug discovery. Sybyl offers functionality for molecular visualization, structure generation, and various computational methods such as molecular mechanics, quantum mechanics, and ligand-protein docking.
5 protocols using sybyl
Molecular Modeling Workflows on Linux
Molecular Docking of TPI Proteins
Docking of Compound 50 Using Surflex-Dock
module (surflex-dock; Sybyl, Certara) and the PDB ID
on conformation optimization procedures implemented for morphological
similarity, that fragments the molecule, docks the fragments, and
reconstructs the molecule in the active site of the protein. The ligand
in
used to define a binding region and as a test ligand for the docking
protocol. The binding pose predicted by the protocol closely resembled
the experimental docked geometry of the experimentally derived binding
pose for the ligand (not shown). Subsequently, the molecular model
of compound
using the same protocol. Molecular models were analyzed using MOE
2019.0101 (Chemical Computing Group) or Chimera (
Modeling A. baumannii Topo IV-Moxifloxacin-DNA Complex
Glycoconjugate 5 Structural Modeling
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