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SciCrunch Registry is a curated repository of scientific resources, with a focus on biomedical resources, including tools, databases, and core facilities - visit SciCrunch to register your resource.
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/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/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
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