Background

Resources

Filter

Type
Topic
Product
Methodology
Accelerating amorphous solid dispersion (ASD) formulation with Schrödinger’s Materials Science Suite Webinar Materials Science
  • May 26, 2026
Accelerating amorphous solid dispersion (ASD) formulation with Schrödinger’s Materials Science Suite

This session will demonstrate how to seamlessly integrate computational insights from mixing energies to glass transition temperatures (Tg) into your existing R&D pipeline to reduce experimental iteration and accelerate time-to-market.

Biologics modeling for wet lab scientists: Detecting and deprioritizing dead ends before they reach the bench Webinar Life Science
  • May 27th – Jun 3rd, 2026
Biologics modeling for wet lab scientists: Detecting and deprioritizing dead ends before they reach the bench

Join us to learn how to detect and deprioritize high-risk candidates, effectively discarding developability dead-ends before they ever reach the bench.

Embracing a new era of toxicity screening: Atomic-resolution modeling to mitigate off-target liabilities Webinar Life Science
  • May 28, 2026
Embracing a new era of toxicity screening: Atomic-resolution modeling to mitigate off-target liabilities

Join us for a technical overview of Schrödinger’s Predictive Toxicology solution. This session will demonstrate how physics-based, atomic-resolution modeling transforms toxicology from a reactive “filter” into a proactive “design tool.”

Beyond the bench: Getting started with molecular dynamics simulations Webinar Materials Science
  • May 29, 2026
Beyond the bench: Getting started with molecular dynamics simulations

Join Schrödinger’s Katie Dahlquist, as she’ll show you how Desmond can be used to improve your development.

Accessible and automated computational catalyst discovery and reactivity optimization Webinar Materials Science
  • Jun 2, 2026
Accessible and automated computational catalyst discovery and reactivity optimization

In this webinar, we will demonstrate how an end-user physics–AI platform removes barriers to entry, making this process accessible to both experts and non-experts while enabling seamless scalability.

Computational and Medicinal Chemistry by the Lake 2026 Event Life Science
  • Jun 2nd-4th, 2026
Computational and Medicinal Chemistry by the Lake 2026

Schrödinger is excited to be participating in the Computational and Medicinal Chemistry by the Lake 2026 conference taking place on June 2nd – 4th in Kuopio, Finland.

A predictive modeling platform for studying degradation, reactivity, and catalysis of small molecule active pharmaceutical ingredients Webinar Materials Science
  • Jun 3rd – Jul 13th, 2026
A predictive modeling platform for studying degradation, reactivity, and catalysis of small molecule active pharmaceutical ingredients

In this webinar, we present recent advances in automated, end-to-end solutions for studying degradation, reactivity, and catalysis of active pharmaceutical ingredients (APIs).

Generative Glide: AI-driven ultra-large virtual screening for real-world drug discovery Webinar Life Science
  • Jun 4th-11th, 2026
Generative Glide: AI-driven ultra-large virtual screening for real-world drug discovery

Join us as we go beyond slides and run a demo of the workflow, showing how Generative Glide performs in practice from setup through results.

Lunch & Learn: Advanced Solutions for Medicinal Chemistry Paris 2026 Event Life Science
  • Jun 8, 2026
Lunch & Learn: Advanced Solutions for Medicinal Chemistry Paris 2026

We are inviting you to join us in an interactive and free-of-charge session on Monday, June 8th at Future for Care in Paris for an extended version of our Lunch and Learn series.

Frontiers in Digital Chemistry: Industry Summit Event Materials Science
  • Jun 9th-10th, 2026
Frontiers in Digital Chemistry: Industry Summit

Schrödinger is pleased to host the inaugural Frontiers in Digital Chemistry: Industry Summit, an in-person user group meeting (UGM) dedicated to the digital chemistry community.

Schrödinger Medicinal Chemistry Symposium 2026 Event Life Science
  • Jun 16, 2026
Schrödinger Medicinal Chemistry Symposium 2026

Join us for the inaugural Schrödinger Medicinal Chemistry Symposium (SMCS), an event specifically curated for the med chem community.

Composite resin formulation with AI and machine learning in action Webinar Materials Science
  • Jun 17th-23rd, 2026
Composite resin formulation with AI and machine learning in action

This webinar with demos will demonstrate how integrating ML with molecular simulation enables faster, more informed development of next-generation resin formulations.

Events

Accelerating amorphous solid dispersion (ASD) formulation with Schrödinger’s Materials Science Suite Webinar Materials Science
  • May 26, 2026
Accelerating amorphous solid dispersion (ASD) formulation with Schrödinger’s Materials Science Suite

This session will demonstrate how to seamlessly integrate computational insights from mixing energies to glass transition temperatures (Tg) into your existing R&D pipeline to reduce experimental iteration and accelerate time-to-market.

Biologics modeling for wet lab scientists: Detecting and deprioritizing dead ends before they reach the bench Webinar Life Science
  • May 27th – Jun 3rd, 2026
Biologics modeling for wet lab scientists: Detecting and deprioritizing dead ends before they reach the bench

Join us to learn how to detect and deprioritize high-risk candidates, effectively discarding developability dead-ends before they ever reach the bench.

Embracing a new era of toxicity screening: Atomic-resolution modeling to mitigate off-target liabilities Webinar Life Science
  • May 28, 2026
Embracing a new era of toxicity screening: Atomic-resolution modeling to mitigate off-target liabilities

Join us for a technical overview of Schrödinger’s Predictive Toxicology solution. This session will demonstrate how physics-based, atomic-resolution modeling transforms toxicology from a reactive “filter” into a proactive “design tool.”

Webinars

Accelerating amorphous solid dispersion (ASD) formulation with Schrödinger’s Materials Science Suite Webinar Materials Science
  • May 26, 2026
Accelerating amorphous solid dispersion (ASD) formulation with Schrödinger’s Materials Science Suite

This session will demonstrate how to seamlessly integrate computational insights from mixing energies to glass transition temperatures (Tg) into your existing R&D pipeline to reduce experimental iteration and accelerate time-to-market.

Beyond the bench: Getting started with molecular dynamics simulations Webinar Materials Science
  • May 29, 2026
Beyond the bench: Getting started with molecular dynamics simulations

Join Schrödinger’s Katie Dahlquist, as she’ll show you how Desmond can be used to improve your development.

Accessible and automated computational catalyst discovery and reactivity optimization Webinar Materials Science
  • Jun 2, 2026
Accessible and automated computational catalyst discovery and reactivity optimization

In this webinar, we will demonstrate how an end-user physics–AI platform removes barriers to entry, making this process accessible to both experts and non-experts while enabling seamless scalability.

Documentation

  • Documentation
Complex Bilayer Builder Panel

Build single or multi-component lipid membranes with or without an embedded membrane protein.

  • Documentation
Membrane Analysis Panel

Calculate structural properties for a lipid membrane over the selected frames of a trajectory.

  • Documentation
Membrane Analysis Viewer Panel

View plots of the structural properties of a lipid over the course of a molecular dynamics trajectory, generated using the Membrane Analysis panel.

Tutorials

  • Tutorial
Introduction to Materials Science Maestro Tutorial

An introduction to Materials Science Maestro, covering basic navigation, an intro to building models and several of the key functionalities of the graphical user interface.

  • Tutorial
Disordered System Building and Molecular Dynamics Multistage Workflows

Learn to use the Disordered System Builder and Molecular Dynamics Multistage Workflow panels to build and equilibrate model systems.

  • Tutorial
Introduction to Geometry Optimizations, Functionals and Basis Sets

Perform geometry optimizations on simple organic molecules and learn basics regarding functionals and basis sets.

Training Videos

Getting Going with MS Maestro Video Series Video Materials Science
Getting Going with MS Maestro Video Series

A free video series introducing the basics of using Materials Science Maestro.

Launching, Saving and Importing – Getting Going with MS Maestro Video Materials Science
Launching, Saving and Importing – Getting Going with MS Maestro

Learn Launching, Saving and Importing in the Getting Going with Materials Science (MS) Maestro Video Series.

Navigating the Graphical User Interface – Getting Going with MS Maestro Video Materials Science
Navigating the Graphical User Interface – Getting Going with MS Maestro

Learn how to navigate the Graphical User Interface in the Getting Going with Materials Science (MS) Maestro Video Series.

Publications

  • Publication
  • Jan 20, 2026
Quantum-Enhanced Neural Exchange-Correlation Functionals

Sokolov, et al. Physical Review A, 2026, 113, 012427

  • Publication
  • Jan 8, 2026
Molecular Dynamics Insights into Ibuprofen Nanocrystal Dissolution Put in the Context of Classical Nucleation Theory

Skrdla, et al. Molecular Pharmaceutics, 2026, 23(2), 1089-1100

  • Publication
  • Jan 1, 2026
Insights into electrolyte reactivity at the Li metal surface from density functional theory

Agarwal, et al. Computational Materials Science, 2026, 261, 114278

Case Studies

Advancing sustainable food processing through integrated experimental and molecular simulation approaches Case Study Materials Science
  • Jul 11, 2025
Advancing sustainable food processing through integrated experimental and molecular simulation approaches

Scientists from Schrödinger and UMass carried out comprehensive studies experimentally and computationally to investigate the key properties and extrusion performance of zein-formulated meat alternatives.

Advancing lipid nanoparticle development with structure-based modeling platform and services Case Study Life Science Materials Science
The Future of Food: Molecular Simulations and AI/ML Reshaping Product Development Case Study Materials Science

White Papers

Quick Reference Sheets

  • Quick Reference Sheet
Simple Sugar Builder

Get an overview of the Simple Sugar Builder.

  • Quick Reference Sheet
Clean Up Structures

Get an overview of the Clean Up Structures Panel.

  • Quick Reference Sheet
Materials Science Panel Explorer

Get an overview of the Materials Science Panel Explorer panel for filtering for tools of interest.

Latest insights from Extrapolations blog

How L’Oreal Uses Digital Simulation to Explore Sustainable Product Ingredients Blog
How L’Oreal Uses Digital Simulation to Explore Sustainable Product Ingredients

Most of us could name at least one cosmetic or personal care product that’s essential to looking and feeling our best. Whether it’s a specific kind of soap, a brand of mascara, the right shade of lipstick or the shampoo that works best for our hair, these products have become a critical part of our daily routine.

Uncovering Better Materials for the Spacecraft of Tomorrow
Uncovering Better Materials for the Spacecraft of Tomorrow

When it comes to solving problems for his job, the work done by Dr. Levi Moore actually is rocket science. As a research chemist with the United States Air Force Research Laboratory, he’s tasked with helping to develop new materials that make it easier and safer to launch rockets into space.

Sustainable Food Packaging Designed at the Atomic Level
Sustainable Food Packaging Designed at the Atomic Level

Each year, an estimated 330 million metric tonnes of plastic are produced globally. A significant portion of that plastic becomes waste, clogging landfills, rivers, and the ocean for centuries, damaging ecosystems and negatively impacting human health.

Training & 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.

Free learning resources

Learn how to deploy the technology and best practices of Schrödinger software for your project success. Find training resources, tutorials, quick start guides, videos, and more.