Supported Applications


  • Description

    a suite of tools for small molecule drug discovery. The Schrodinger Suite runs on Linux and Mac workstations, but due to it’s size, it is not included in our default installation. To add Schrördinger to your installation, please email bugs@sbgrid.org.

    Use of the Schrodinger Molecular Modeling Suite through SBGrid is limited to nonprofit groups located in the US and Canada. Members wishing to access the Schrodinger Suite must also agree to participate in our SBGrid-Schrodinger Working Group, which meets online several times per year.

  • Usage Notes

    SBGrid makes the full Schrödinger Small-Molecule Drug Discovery Suite available to non-profit groups located in North America. This suite contains applications for cheminformatics, molecular dynamics, docking, QSAR modeling, and homology modeling, and includes a host of other tools.

    Members can easily access Schrödinger software through an SBGrid-hosted license server. The current SBGrid license, due to expire in June 2017, provides unlimited access to Maestro, Schrödinger’s molecular visualization software and the general user interface. For other applications, Schrödinger operates on a token basis, with different jobs requiring a different number of tokens. Our license allows for 125 interchangeable tokens for the use of AutoQSAR, Canvas, CombiGlide, ConfGen, Core Hopping, Desmond, Desmond GPU,Epik, Field-based QSAR, Glide, Jaguar, Jaguar pKa, LigPrep,MacroModel, Phase, Shape Screening, Prime, PrimeX, QikProp, QSite, SiteMap, Strike, XP Visualizer, KNIME,OPLS3, and Force Field Builder

    For applications that require dedicated licenses, SBGrid members have access to floating licenses for BioLuminate (10) and PIPER (5). We also 15 seated licenses for the Protein-Ligand Database. For large scale Glide computations we also have 40 Glide/XP Visualizer dedicated licenses, which members can reserve in advance by emailing bugs@sbgrid.org.

    Application Purpose Tokens Needed
    Canvas cheminformatics analysis 1
    CombiGlide combinatorial library design 7
    Epik pKa calculation in biological conditions 1
    Glide ligand-receptor docking 5-6
    Induced-Fit Docking ligand-receptor docking with target dynamics 8
    Jaguar ab initio quantum mechanics 2
    Liaison binding affinity calculations 4
    LigPrep 2D to 3D conversion program to prepare ligand libraries 1
    MacroModel classical molecular modeling application 1
    Phase ligand-based pharmacophore modeling 5
    Prime protein structure prediction package 8
    QikProp ADME properties prediction of drug candidates 2
    QSite QM/MM application 4
    SiteMap identification and characterization of active sites 1
    Strike scientific data analysis program 1
  • Citation Note

    Schrodinger provides many different software programs. Please cite these individual programs using the citations below.

  • Categories

    Computational Chemistry

  • Default Versions

    Linux 64 2017-1
    OS X INTEL 2017-1

  • Other Available Versions

    Linux 32 2012-2
    Linux 64 2016-3
    Linux 64 2016-4
    OS X INTEL 2016-3
    OS X INTEL 2016-4

  • Tales



    Schrödinger, a little like a German car, has good looks and power under the hood. The 3D exterior is powered by Maestro, the primary molecular visualization interface in the Schrödinger Suite that integrates all of the other computational tools. It even supports 3D monitors and glasses that embed the user in a 3D viewing experience.

    Overkill? Not so, says Woody Sherman, VP of application science at Schrödinger. Aha moments come when scientists view structures in these 3D renderings. “The most important moments come from combining graphics with calculations,” he says. “We gain intuition from looking at a structure, but the calculations shed light on the underlying physics. What's the balance between entropy and enthalpy? What hydrogen bonds are important? The calculations tell us how the physics is ...

    Read More.