Schrödinger provides accurate, reliable, and high performance computational technology to solve real-world problems in life science research.
		Molecular Modeling Platform  PDF   Small Molecule Modeling and Simulations [+] Conformation Generation and Clustering • MacroModel - gas phase and solution • ConfGen - bioactive conformation generation • XCluster - clustering conformations [+] Property Generation and Filtering • QikProp - descriptor generation and ADME/Tox prediction • Ligand Properties & Filtering [+] 1D/2D to 3D Structure Generation • LigPrep • Epik - fast pKa and tautomer prediction [+] Molecular Mechanics • MM2, MM3, AMBER, AMBER94, MMFF, MMFFs, OPLS, and OPLS-AA Force Fields • GB/SA Solvation Model • MacroModel • Impact • MINTA - conformational free energies • Force Field Viewer [+] Molecular Dynamics • Desmond - explicit solvent MD • Impact - implicit and explicit solvent MD [+] Quantum Mechanics • Jaguar • Jaguar pKa • Hydrogen Bond Calculator Macromolecular Modeling and Simulations [+] Structural Biology - Crystallography • PrimeX - protein crystal structure refinement • Protein Structure Analysis [+] Protein Modeling and Bioinformatics • Prime Loop and Side-Chain Prediction • Prime Sequence Alignment • Prime Fold Recognition/Threading [+] Molecular Mechanics • MM2, MM3, AMBER, AMBER94, MMFF, MMFFs, OPLS, and OPLS-AA Force Fields • GB/SA Solvation Model • Prime • MacroModel • Large-Scale Low-Mode (LLMOD) conformational sampling • Impact • Force Field Viewer [+] Molecular Dynamics • Desmond - explicit solvent • Impact - implicit and explicit solvent [+] Monte Carlo Simulations • MCPRO+ [+] QM/MM • QSite Lead Discovery [+] Cheminformatics • Canvas [+] Ligand-Based Discovery • Phase - pharmacophore modeling • Phase Shape • Phase Multiple Binding Mode Predictor • Phase CAC database • Flexible Ligand Superposition [+] Fragment-Based Discovery • Glide - docking and scoring • CombiGlide • Phase - pharmacophore modeling • Rule-based Molecule Fragmenting • Fragment Joining/Linking • Ligand Efficiency (LE) Metrics • BREED - ligand hybridization [+] Structure-Based Discovery • Glide - docking and scoring • Virtual Screening Workflow (VSW) • SiteMap - protein binding site identification and analysis • Covalent Docking • Protein Preparation Wizard • Protein Structure Alignment • GPCR Modeling Lead Optimization [+] Cheminformatics • Canvas [+] 2D/3D QSAR • Phase - pharmacophore modeling • Strike - statistical modeling • QikProp - property generation [+] Combinatorial Chemistry • CombiGlide R-group Evaluator • CombiGlide Core Hopping [+] Fragment-Based Design • Glide - docking and scoring • Rule-based Molecule Fragmenting • Fragment Joining/Linking • Ligand Efficiency (LE) Metrics • BREED - ligand hybridization [+] Ligand-Based Design • Phase - pharmacophore modeling [+] Structure-Based Design • Glide - docking and scoring • Induced Fit Docking • Prime MM/GBSA • CombiGlide Core Hopping • CombiGlide Screening • HERG Modeling with Induced Fit Docking • SiteMap - protein binding site identification and analysis • Embrace - post-docking refinement • Hydrogen Bond Calculator • Liaison - linear interaction approximation • MCPRO+ • QM-Polarized Ligand Docking • SIFt - Structural Interaction Fingerprints • QSite - QM/MM • Ligand Designer [+] Absolute and Relative Binding Affinity Prediction • Glide XP - docking and scoring • Prime MM/GBSA • MCPRO+ • Desmond FEP - molecular dynamics free energy perturbation Visualization and Automation [+] Molecular Visualization • Maestro - molecular modeling graphical interface • Glide XP Visualizer • 2D Viewer [+] Application Deployment Interfaces • Maestro - molecular modeling interface • Canvas - cheminformatics • KNIME Extensions [+] Scripting, Methods Development and Deployment • Python API • Maestro Command Language [+] Workflow/Pipelining • KNIME Extensions • Python Pipelining Infrastructure [+] Medicinal Chemistry Applications • 2D Viewer • 3D Builder • Glide Web Interface • Medicinal Chemistry Interface to Minimization, Torsion Scans, Conformational Searches, and ESP Surfaces • Ligand Designer		Announcements   >  September 15th 2008  Schrödinger Announces Update 1 to Suite 2008  GO   >  September 16th 2008  Schrödinger Publication Most Cited Article Published in 2006  GO   >  October 14th 2008  Schrödinger at MipTec, Basel, Switzerland, October 14–16  GO   >  More Announcements
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