Training

Small Molecule Drug Discovery

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Getting Started: Get to Know Maestro

Maestro is the graphical user interface (GUI) that is the foundation of the Schrödinger platform. Maestro is the culmination of years of research and development, led by industry-leading experts working closely with our users. Maestro was created to be the user environment that is both intuitive and allows our users to get work done efficiently.

To help you quickly get acquainted with Maestro, we have put together an eight-part series in which we demonstrate and explain the tools. Each fast-paced session includes a recorded webinar and an annotated guide, so you can follow along or practice the exercises on your own.

Maestro Quick Start Guide
Get started with an online step-by-step Quick Start Guide
Guide View
An Introduction to Maestro
An overview of the philosophy behind Maestro, and an introduction to its tools.
Video View
Maestro Training Video Collection
Eight training videos going over the essentials to getting started in Maestro.
Video Collection View

Tutorials

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

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 View
WaterMap-Guided Lead Optimization with the Ligand Designer
Examine results from WaterMap and WM/MM scoring to identify unstable waters and evaluate ligand binding.
Tutorial View
WScore Evaulation of HSP90 Ligands
Build and use WScore models to evaluate Hsp90 ligands.
Tutorial View
Structure-Based Virtual Screening Using Phase Workshop Tutorial
Create and analyze pharmacophore models generated from a protein-ligand complex.
Tutorial View
Target Analysis with SiteMap and WaterMap
Identify potential active sites on a receptor
Tutorial View
Structure-Based Virtual Screening Using Glide Workshop Tutorial
Prepare receptor grids for docking, dock molecules and examine the docked poses.
Tutorial View
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Online Courses

A range of courses—from beginner (people new to computational tools) to advanced (experienced modelers who are learning the Schrödinger platform)—that integrate videos, tutorials, and hands-on training resources.

High-Throughput Virtual Screening for Hit Finding and Evaluation
Learn best practices for using virtual screening of large ligand libraries.
Online Course View
Introduction to Molecular Modeling in Drug Discovery
Learn how to apply molecular modeling in small-molecule drug discovery and design.
Online Course View

Webinars

Recordings of past online events and presentations. These are typically 30 - 60 minutes long and cover more complex topics and workflows.

An Introduction to Ligand-Based Drug Design
This seminar will introduce the basic concepts of ligand-based drug design and provide attendees with a general...
Webinar View
Combining De Novo Design Techniques with Synthetic Enumeration
What is molecular diversity? A large issue with productively using new de novo design techniques is they suggest...
Webinar View
Large-Scale Ligand-Based Virtual Screening with Dr. Steven Jerome
Over the past few years, there has been a dramatic increase in the sheer number of compounds that can be tested in the...
Webinar View
Hydrogens Matter - A look at modern pKa and tautomer prediction
Tautomers and protomers are omnipresent in biological systems. Protein side chains, natural substrates, or designed...
Webinar View
Space Odysseys: Ways to navigate through very large chemical spaces
There is an ever growing need to explore novel chemical entities with novel IP. The pressure on discovery pipelines has...
Webinar View
An Introduction to Structure-based Drug Design
This seminar will introduce the basic concepts of structure-based drug design and provide attendees with a general...
Webinar View
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Videos

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

Release 2021-4 - New Features
Video View
Release 2019-1 - New Features
Video View
Release 2019-3 - New Features
Video View
Our Story
Video View
Release 2019-4 - New Features
Video View
Release 2020-1 - New Features
Video View
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