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.
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.
A free video series introducing the basics of using Maestro Bioluminate.
Self-guided step-by-step introductions to various workflows with example files for getting comfortable with Schrödinger tools.
Short video overviews of specific introductory and scientific topics, including summaries of new release features.
A one-page PDF that visually describes the panel or workflow.
Create and analyze pharmacophore hypotheses from congeneric and diverse ligand sets
Prepare, run, and analyze a free energy perturbation (FEP) simulation for a series of BACE1 inhibitors using FEP+.
Soften potentials in Glide, evaluate PDB temperature factors, align binding sites, and run induced-fit docking for side chain conformational changes and loop refinement.
Optimize binding poses, investigate core constraints, and rank-order a congeneric series of inhibitors
Prepare receptor grids for docking, dock molecules and examine the docked poses
Preparation and visualization of ligand and protein structures in Maestro.
Basic Maestro tasks useful for medicinal chemists during idea generation and lead optimization.
Set up IFD-MD for a covalently bound ligand and visualize the results.
Set up a membrane-bound protein for IFD-MD and visualize the results.
Build and test two models for predicting aqueous solubility using a large dataset
Build a heteromultimer homology model of human hemoglobin from a bar-head goose hemoglobin structure.
Prepare, run, and analyze a free energy perturbation (FEP) simulation with a membrane-bound protein for a series of A2A inhibitors using FEP+.
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.
Connect your students to industry-leading molecular modeling software through a web-based platform. Incorporate molecular modeling in the classroom.