Training
Small Molecule Drug Discovery
Software Release
Topic
- (-) Remove All filter All
- Drug Formulation Apply Drug Formulation filter
- Hit Identification and Virtual Screening Apply Hit Identification and Virtual Screening filter
- Informatics and Team Collaboration Apply Informatics and Team Collaboration filter
- Lead Optimization Apply Lead Optimization filter
- Medicinal Chemistry Design Apply Medicinal Chemistry Design filter
- Target Validation and Structural Enablement Apply Target Validation and Structural Enablement filter
Type
Product
- (-) Remove All filter All
- AutoQSAR Apply AutoQSAR filter
- BioLuminate® Apply BioLuminate® filter
- ConfGen Apply ConfGen filter
- CovDock Apply CovDock filter
- Desmond Apply Desmond filter
- FEP+ Apply FEP+ filter
- Field-Based QSAR Apply Field-Based QSAR filter
- Glide Apply Glide filter
- IFD-MD Apply IFD-MD filter
- Induced Fit Apply Induced Fit filter
- Jaguar Apply Jaguar filter
- KNIME Extensions Apply KNIME Extensions filter
- Ligand Designer Apply Ligand Designer filter
- LigPrep Apply LigPrep filter
- LiveDesign® Apply LiveDesign® filter
- MacroModel Apply MacroModel filter
- Maestro Apply Maestro filter
- Maestro Elements Apply Maestro Elements filter
- Membrane Permeability Apply Membrane Permeability filter
- MS Jaguar Apply MS Jaguar filter
- MS Maestro Apply MS Maestro filter
- MS Mobility Apply MS Mobility filter
- MS Morph Apply MS Morph filter
- MS Penetrant Loading Apply MS Penetrant Loading filter
- MS Reactivity Apply MS Reactivity filter
- MS Transport Apply MS Transport filter
- Phase Apply Phase filter
- Prime Apply Prime filter
- Protein-Ligand Database (PLDB) Apply Protein-Ligand Database (PLDB) filter
- PyMOL Apply PyMOL filter
- QSite Apply QSite filter
- Quantum ESPRESSO Apply Quantum ESPRESSO filter
- Shape Screening Apply Shape Screening filter
- SiteMap Apply SiteMap filter
- WaterMap Apply WaterMap filter
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...
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...
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...
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...
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...
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...
Introduction to Ligand-Based Drug Design
In a drug design project, it is not always possible to get the 3D structure of the potential drug target. In such a...
ActiveLearning Glide - Screen Billions of Compounds Efficiently and Cost Effectively
Docking has proven its value identifying novel hits from purchasable compound libraries. With the advent and rapid...
Hit Discovery: A Modern Approach
This talk will cover Schrödinger's approach to hit discovery at scale, combining ligand-based methods (GPU Shape,...
Computational Tools to Assist Drug Design
Computational Workflows for Bifunctional Degrader Design
This presentation highlights ongoing efforts at Schrödinger to develop computational workflows to address different...
Molecular Dynamics Simulation Applications in Drug Discovery
Comprehensive Protein Preparation with Molecular Dynamics
- We will show how molecular dynamics can be used to explore the nature of binding and validate the correct protonation...
Find Your Hit: High-Throughput Virtual Screening and Structure Visualization with Schrödinger's Platform
Join us for an overview of high-throughput ligand evaluation and results analysis using Schrödinger's tools. Beginning...
Using Molecular Modeling to Guide Biotherapeutics Formulation
Taking Hit Identification to the Next Level by Screening Billions of Compounds Efficiently and Cost Effectively with Machine Learning Enabled DNA Encoded Libraries and Virtual Screening
The chemical space available to drug discovery is vast, estimated conservatively at 1020-1024 compounds, yet...
Tautomers, Conformers, and pKa: Useful QM approaches
- Understanding nano, micro and macro pKa - QM based pKa prediction - Why tautomers are important - AutoConf: A...
Molecular Modeling for the Medicinal Chemistry Toolkit
A common and significant goal in the design and optimisation of drugs is the reliable prediction of structure-activity...
Lead Optimization with FEP+
Achieving highly potent binding, while maintaining a host of other ligand properties required for safety and biological...
Idea Generation Using Protein-Ligand Database (PLDB)
- Using PLDB to store and query structural data - Statistical analysis of protein-ligand interactions - Analysis of...
An Introduction to Automating Workflows with KNIME
A brief overview on how to get started with KNIME and use Schrödinger Nodes to create workflows for use within KNIME...
A Brief Introduction to Maestro 11
In this webinar we will present a short introduction to Maestro 11 and provide plenty of time for feedback and...
Lead Optimization with FEP+: Innovations in 2016 and a Sneak Peek at 2017
Achieving highly potent binding, while maintaining a host of other ligand properties required for safety and biological...
Maestro 11: What's New in 2017
In this presentation, we'll highlight how to use the major features of Maestro 11 and give you a sneak peek at what's...