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discovery studio 3.0 software package  (Accelrys)

 
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    Accelrys discovery studio 3.0 software package
    Discovery Studio 3.0 Software Package, supplied by Accelrys, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/result/discovery studio 3.0 software package/product/Accelrys
    Average 90 stars, based on 1 article reviews
    discovery studio 3.0 software package - by Bioz Stars, 2026-06
    90/100 stars

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    discovery studio 3.0 software package  (Accelrys)
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    Accelrys discovery studio 3.0 software package
    Discovery Studio 3.0 Software Package, supplied by Accelrys, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/result/discovery studio 3.0 software package/product/Accelrys
    Average 90 stars, based on 1 article reviews
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    discovery studio 3.0 software package pharmacophore generation  (Accelrys)
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    Accelrys discovery studio 3.0 software package pharmacophore generation
    2D Chemical structures of 18 training set used to obtain HypoGen <t>pharmacophore</t> hypotheses.
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    2D Chemical structures of 18 training set used to obtain HypoGen pharmacophore hypotheses.

    Journal: PLoS ONE

    Article Title: Identification, Design and Bio-Evaluation of Novel Hsp90 Inhibitors by Ligand-Based Virtual Screening

    doi: 10.1371/journal.pone.0059315

    Figure Lengend Snippet: 2D Chemical structures of 18 training set used to obtain HypoGen pharmacophore hypotheses.

    Article Snippet: The following program were used in the manuscript: Discovery Studio 3.0 software package for pharmacophore model generation (DS, Accelrys Inc., San Diego, USA); Gold 5.0 program for molecular docking (CCDC, UK); Derek 2.0.3 for the toxicities prediction (Lhasa Inc., UK); MarvinSketch 5.10.0 for the physicochemical properties prediction (Chemaxon Ltd., USA).

    Techniques:

    2D chemical structures of 30 test set molecules for the pharmacophore model validation.

    Journal: PLoS ONE

    Article Title: Identification, Design and Bio-Evaluation of Novel Hsp90 Inhibitors by Ligand-Based Virtual Screening

    doi: 10.1371/journal.pone.0059315

    Figure Lengend Snippet: 2D chemical structures of 30 test set molecules for the pharmacophore model validation.

    Article Snippet: The following program were used in the manuscript: Discovery Studio 3.0 software package for pharmacophore model generation (DS, Accelrys Inc., San Diego, USA); Gold 5.0 program for molecular docking (CCDC, UK); Derek 2.0.3 for the toxicities prediction (Lhasa Inc., UK); MarvinSketch 5.10.0 for the physicochemical properties prediction (Chemaxon Ltd., USA).

    Techniques:

    Results of pharmacophore hypotheses generated by HypoGen.

    Journal: PLoS ONE

    Article Title: Identification, Design and Bio-Evaluation of Novel Hsp90 Inhibitors by Ligand-Based Virtual Screening

    doi: 10.1371/journal.pone.0059315

    Figure Lengend Snippet: Results of pharmacophore hypotheses generated by HypoGen.

    Article Snippet: The following program were used in the manuscript: Discovery Studio 3.0 software package for pharmacophore model generation (DS, Accelrys Inc., San Diego, USA); Gold 5.0 program for molecular docking (CCDC, UK); Derek 2.0.3 for the toxicities prediction (Lhasa Inc., UK); MarvinSketch 5.10.0 for the physicochemical properties prediction (Chemaxon Ltd., USA).

    Techniques: Generated

    A and C, S1 and S13 binding to the active site of Hsp90, respectively. B and D, S1 and S13 mapped onto the pharmacophore model Hypo1, respectively. S1, S13 and the key residues were shown as stick. H-bond was colored in red. Hypothesis features are color-coded as follows: hydrophobic aromatic, light blue; hydrogen bond donor, violet; hydrogen bond acceptor, green.

    Journal: PLoS ONE

    Article Title: Identification, Design and Bio-Evaluation of Novel Hsp90 Inhibitors by Ligand-Based Virtual Screening

    doi: 10.1371/journal.pone.0059315

    Figure Lengend Snippet: A and C, S1 and S13 binding to the active site of Hsp90, respectively. B and D, S1 and S13 mapped onto the pharmacophore model Hypo1, respectively. S1, S13 and the key residues were shown as stick. H-bond was colored in red. Hypothesis features are color-coded as follows: hydrophobic aromatic, light blue; hydrogen bond donor, violet; hydrogen bond acceptor, green.

    Article Snippet: The following program were used in the manuscript: Discovery Studio 3.0 software package for pharmacophore model generation (DS, Accelrys Inc., San Diego, USA); Gold 5.0 program for molecular docking (CCDC, UK); Derek 2.0.3 for the toxicities prediction (Lhasa Inc., UK); MarvinSketch 5.10.0 for the physicochemical properties prediction (Chemaxon Ltd., USA).

    Techniques: Binding Assay