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Free learning resources

Quickly learn how to integrate Schrödinger technology into your research. From overviews to deep dives, you can find information about applications, workflows, and analysis here.

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Tutorials

Self-guided step-by-step introductions to various workflows with example files for getting comfortable with Schrödinger tools.

  • Tutorial
A Chemist’s Guide to Maestro

Basic Maestro tasks useful for medicinal chemists during idea generation and lead optimization.

  • Tutorial
BACE1 Inhibitor Design Using Free Energy Perturbation

Prepare, run, and analyze a free energy perturbation (FEP) simulation for a series of BACE1 inhibitors using FEP+.

  • Tutorial
Antibody Visualization and Modeling in BioLuminate

Visualize, build, and evaluate antibody models, analyze an antibody for various characteristics, dock an antigen to an antibody.

  • Tutorial
Chimeric Homology Modeling Using the Multiple Sequence Viewer/Editor

Build a chimeric homology model using the Multiple Sequence Viewer/Editor (MSV).

  • Tutorial
Introduction to Structure Preparation and Visualization

Preparation and visualization of ligand and protein structures in Maestro.

  • Tutorial
Introduction to BioLuminate and the Multiple Sequence Viewer/Editor

Prepare and visualize an enzyme, analyze the sequence for residue conservation, and build a homology model with the MSV.

  • Tutorial
Building Homology Models with the Multiple Sequence Viewer/Editor

Build and refine a homology model with the MSV.

  • Tutorial
Batch Homology Modeling Using the Multiple Sequence Viewer/Editor

Build multiple homology models using a single template with the MSV.

  • Tutorial
WaterMap-Guided Lead Optimization with the Ligand Designer

Displace an unstable water an optimize a hit molecule with the Ligand Designer.

  • Tutorial
Forming Protein-Ligand Interactions with the Ligand Designer

Form protein-ligand interactions and optimize a hit molecule with the Ligand Designer.

  • Tutorial
Training and Evaluating ADMET Models with DeepAutoQSAR

Build and test two models for predicting aqueous solubility using a large dataset

  • Tutorial
Using IFD-MD on a Membrane-bound protein

Set up a membrane-bound protein for IFD-MD and visualize the results.

  • Tutorial
Structure-Based Virtual Screening using Glide

Prepare receptor grids for docking, dock molecules and examine the docked poses

  • Tutorial
Structure-Based Lead Optimization with Glide and MM-GBSA

Optimize binding poses, investigate core constraints, and rank-order a congeneric series of inhibitors

  • Tutorial
Conformational Analysis for Small Molecules Using MacroModel and ConfGen

Investigate torsional profiles for related small molecules and how conformation affects intra- and intermolecular interactions.

  • Tutorial
Target Analysis with SiteMap and WaterMap

Identify potential active sites on a receptor

  • Tutorial
Identifying Binding Site Requirements and Lead Optimization with WaterMap

Examine results from WaterMap and WM/MM scoring to identify unstable waters and evaluate ligand binding.

  • Tutorial
Membrane-Bound FEP+ with A2A

Prepare, run, and analyze a free energy perturbation (FEP) simulation with a membrane-bound protein for a series of A2A inhibitors using FEP+.

  • Tutorial
Enumeration Tools for Library Design

Use enumeration tools to design libraries for lead optimization of a CDK2 inhibitor

  • Tutorial
Using IFD-MD on a Covalently Bound Ligand

Set up IFD-MD for a covalently bound ligand and visualize the results.

Videos

Short video overviews of specific introductory and scientific topics, including summaries of new release features.

  • Video
Setting up a Maestro Project

The first video in the Getting Going with Maestro Video Series: the working directory, saving a project, and customizing mouse actions.

  • Video
Importing and Rendering Structures in Maestro

The second video in the Getting Going with Maestro Video Series: importing structures from the Protein Data Bank (PDB), selection and inclusion, styling.

  • Video
Interacting with Objects and Applications in Maestro

The third video in the Getting Going with Maestro Video Series: using right-clicks in Maestro, favorites toolbar, navigating Tasks.

  • Video
Modifying Ligands in 2D and Ligand Alignments in Maestro

The fourth video in the Getting Going with Maestro Video Series: 2D Sketcher, ligand alignment.

  • Video
Modifying Compounds in 3D in Maestro

The fifth video in the Getting Going with Maestro Video Series: designing new compounds with the 3D Builder.

  • Video
Workspace Toggles in Maestro

The sixth video in the Getting Going with Maestro Video Series: workspace toggles, the Sequence Viewer.

  • Video
Using the Structure Hierarchy and Adding Surfaces in Maestro

The seventh video in the Getting Going with Maestro Video Series: the Structure Hierarchy adding surfaces.

  • Video
Ligand Interaction Diagram and Generating Images in Maestro

The eigth video in the Getting Going with Maestro Video Series: the Ligand Interaction Diagram sharing images.

  • Video
Ligand Preparation and Job Monitor in Maestro

The ninth video in the Getting Going with Maestro Video Series: ligand preparation with LigPrep, the Job Monitor, ligand alignment.

  • Video
Preparing Protein Structures in Maestro

The tenth video in the Getting Going with Maestro Video Series: protein preparation with the Protein Preparation Workflow, setting up a Glide docking calculation.

  • Video
Targeted R-Group Enumeration with the Ligand Designer in Maestro

The eleventh video in the Getting Going with Maestro Video Series: R-Group Enumeration and docking with the Ligand Designer, customizing an MPO, post-processing Ligand Designer outputs.

  • Video
Setting up a BioLuminate Project

The first video in the Getting Going with Maestro BioLuminate Video Series: changing your working directory, saving projects, and more.

  • Video
Importing and Rendering Structures in BioLuminate

The second video in the Getting Going with Maestro BioLuminate Video Series: importing structures from the Protein Data Bank (PDB), selection and inclusion and workspace styling options.

  • Video
Interacting with Objects and Applications in BioLuminate

The third video in the Getting Going with Maestro BioLuminate Video Series: ways to use right-clicks in BioLuminate, managing surfaces.

  • Video
Interacting with and Favoriting Applications in BioLuminate

The fourth video in the Getting Going with Maestro BioLuminate Video Series: favorites toolbar, navigating the Tasks menu.

  • Video
Introduction to Workspace Toggles and the Structure Hierarchy in BioLuminate

The fifth video in the Getting Going with Maestro BioLuminate Video Series: workspace toggles, the Structure Hierarchy, Adding Antibody Annotations to the Structure Hierarchy, and performing measurements.

  • Video
A Sneak Peek into Renumbering Residues and the Project Table in BioLuminate

The sixth video in the Getting Going with Maestro BioLuminate Video Series: renaming chains and residues, the Project Table.

Quick reference sheets

A one-page PDF that visually describes the panel or workflow.

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Additional Resources

Online certification courses

Level up your skill set with hands-on, online molecular modeling courses. These self-paced courses cover a range of scientific topics and include access to Schrödinger software and support.

Teaching with Schrödinger

Connect your students to industry-leading molecular modeling software through a web-based platform. Incorporate molecular modeling in the classroom.