Sybyl-X statistics

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Citations per year

Number of citations per year for the bioinformatics software tool Sybyl-X
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Tool usage distribution map

This map represents all the scientific publications referring to Sybyl-X per scientific context
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Protocols

Sybyl-X specifications

Information


Unique identifier OMICS_19057
Name Sybyl-X
Software type Toolkit/Suite
Interface Graphical user interface
Restrictions to use License purchase required
Operating system Unix/Linux, Mac OS, Windows
Computer skills Medium
Maintained Yes

Versioning


No version available

Maintainer


  • person_outline Sybyl-X Team

Sybyl-X citations

 (174)
library_books

Discovery of C 3 Tethered 2 oxo benzo[1,4]oxazines as Potent Antioxidants: Bio Inspired Based Design, Synthesis, Biological Evaluation, Cytotoxic, and in Silico Molecular Docking Studies

2018
PMCID: 5876303
PMID: 29629369
DOI: 10.3389/fchem.2018.00056

[…] Molecular modeling studies of C-3 tethered 2-oxo-benzo [1, 4] oxazine derivatives 20a-ab were carried out using molecular modeling software Sybyl-X 2.0, (Tripos International, St. Louis, Missouri, 63144, USA). Drawing of structures and simple geometry optimization were performed with Chem Bio-Office suite Ultra v12.0 (2012) (Cambridge Sof […]

call_split

Inhibitory Effect of Kurarinone on Growth of Human Non small Cell Lung Cancer: An Experimental Study Both in Vitro and in Vivo Studies

2018
Front Pharmacol
PMCID: 5876310
PMID: 29628889
DOI: 10.3389/fphar.2018.00252
call_split See protocol

[…] In order to explore the interaction and illustrate binding model for the active assay, molecular docking was carried out using Surflex-Dock of sybyl-x 1.10 program package (Tripos, St. Louis, MO, United States). The structural information from the theoretically modeled complex may help us to clarify the binding mechanism between Akt (PDB: 4G […]

call_split

QSAR study and rustic ligand based virtual screening in a search for aminooxadiazole derivatives as PIM1 inhibitors

2018
Chem Cent J
PMCID: 5862716
PMID: 29564572
DOI: 10.1186/s13065-018-0401-x
call_split See protocol

[…] All modeling studies were performed using the SYBYL-X 2.0 molecular modeling package (Tripos Inc., St. Louis, USA) running on a windows 7, 32 bit workstation. Three-dimensional structures were built using the SKETCH option in SYBYL. All compounds […]

library_books

Molecular Insights into the Interaction of RONS and Thieno[3,2 c]pyran Analogs with SIRT6/COX 2: A Molecular Dynamics Study

2018
Sci Rep
PMCID: 5859274
PMID: 29556059
DOI: 10.1038/s41598-018-22972-9

[…] alogs were drawn using ChemBioDraw Ultra v12.0 software (Fig. ). The 2D structures were converted into 3D using the Concord program, followed by geometry cleaning and energy minimization performed by SYBYL-X 2.1.1. The Tripos force field,,, and Gasteiger-Hückel charge were assigned during the energy minimization. The maximum iterations for the minimization were set to 2000 steps. The molecular str […]

library_books

Analyses of HIV 1 integrase sequences prior to South African national HIV treatment program and availability of integrase inhibitors in Cape Town, South Africa

2018
Sci Rep
PMCID: 5856838
PMID: 29549274
DOI: 10.1038/s41598-018-22914-5

[…] described before. The modeled structure was submitted to the Structure Analysis and Verification Server (SAVES) (https://services.mbi.ucla.edu/SAVES/) as well as Protein Structure Preparation tool of SYBYL-X (version 2.1). No bad contacts were noted in the structures. The backbone torsion angles were checked by Ramachandran plot for allowed conformations of ϕ and φ angles. All angles were in the a […]

library_books

Evolution of carbapenem resistance in Acinetobacter baumannii during a prolonged infection

2018
Microb Genom
PMCID: 5885017
PMID: 29547094
DOI: 10.1099/mgen.0.000165

[…] and related penicillin-binding proteins (PDB IDs: 3EQU, 3OC2, 3PBQ, 3PBN, 3UE3, 4BPJ and 5ENS; sequence identity 43–87 %), respectively. The models were then minimized using the MMF94s forcefield in Sybyl-X 2.1.1 (Certara), with the final structures having more than 95 % of residues in the allowed region of a Ramachandran plot. Meropenem was docked into the models using Glide (Schrodinger), and t […]


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