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Commercial ogranization which provides molecular and drug discovery software and services to researchers. American software company that develops chemical simulation software for use in pharmaceutical, biotechnology, and materials science research. Provides products ranging from general molecular modeling programs to a full suite of chemical simulation and drug design software, including ligand- and structure-based methods.
Proper citation: Schrodinger (RRID:SCR_014879) Copy
https://www.schrodinger.com/glide
Software package which approximates a complete search of the conformational, orientational, and positional space of the ligand in a given receptor. Used in drug development for predicting protein ligand binding modes and ranking ligands via high throughput virtual screening.
Proper citation: Glide (RRID:SCR_000187) Copy
https://www.schrodinger.com/macromodel
Software package for molecular modeling. Computes free energy changes using free energy perturbation method. Used to examine molecular conformations, molecular motion, and intermolecular interactions, such as those in a ligand-receptor complex.
Proper citation: MacroModel (RRID:SCR_016747) Copy
https://www.schrodinger.com/shape-screening
Software tool for shape-based superposition and similarity searching. Identifies new compounds with shapes (and, if desired, other properties) that are similar to the known binder.
Proper citation: Shape screening (RRID:SCR_016750) Copy
https://www.schrodinger.com/Phase/
Pharmacophore modeling software to create 3D structure activity relationships, screen databases, and generate hits through establishing a chemical space occupied by active ligands. Used in drug design.
Proper citation: Phase (RRID:SCR_014884) Copy
https://www.schrodinger.com/ligprep
Software tool to correct and optimize the ligands by generating different protonation states, stereochemistry, tautomers, and ring conformations. Used to generate accurate, energy minimized 3D molecular structures.
Proper citation: Ligprep (RRID:SCR_016746) Copy
https://www.schrodinger.com/epik
Software program for pKa prediction and protonation state generation for drug like molecules.
Proper citation: Epik (RRID:SCR_016745) Copy
https://www.schrodinger.com/protein-preparation-wizard
Software tool for correcting common structural problems and creating reliable, all atom protein models.
Proper citation: Protein preparation Wizard (RRID:SCR_016749) Copy
https://www.schrodinger.com/maestro
Software tool for all purpose molecular modeling environment. Maestro is the portal to all of Schrödinger's computational technology. Helps researchers organize and analyze data.
Proper citation: Maestro (RRID:SCR_016748) Copy
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