Case Study
Life Science
White Paper
Life Science
- Tutorial
Exploring Protein Binding Sites with Mixed-Solvent Molecular Dynamics
Identify and characterize binding sites with mixed solvent molecular dynamics.
- Publication
- Mar 5, 2025
A robust crystal structure prediction method to support small molecule drug development with large scale validation and blind study
Zhou, et al. Nature Communications, 2025, 16, 2210
- Publication
- Feb 13, 2025
Towards automated physics-based absolute drug residence time predictions
Smith Z, et al. ChemRxiv, 2025, Preprint
Webinar
Life Science
- Feb 11, 2025
Enabling cryoEM structures for drug discovery with the Schrödinger Suite
In drug discovery, the relevance and value of protein structures is directly related to their ability to rationally optimize molecular properties.
- Publication
- Jan 30, 2025
Accurate physics-based prediction of binding affinities of RNA- and DNA-targeting ligands
Abramyan, et al. J. Chem. Inf. Model. , 2025, 65, 3, 1392–1403
Webinar
Life Science
- Dec 18, 2024
アーカイブ配信: OPLS5及び解離速度定数の予測技術のご紹介
DEC 18, 2024 | 本ウェビナーではOPLS5とunbinding kinetics workflowに焦点を当ててご紹介します。
Webinar
Life Science
- Oct 15, 2024
Schrödinger Software 2024-3 新機能紹介ウェビナーアーカイブ配信
SEPT 3, 2024 | この度、最新版となる2024-3をリリースいたしました。本ウェビナーでは、主要な新機能についてご紹介いたします。
- Publication
- Aug 15, 2024
Coarse-grained simulation of mRNA-loaded lipid nanoparticle self-assembly
Grzetic, et al. Molecular Pharmaceutics, 2024, 21, 9, 4747–4753
- Publication
- Aug 13, 2024
OPLS5: Addition of polarizability and improved treatment of metals
Damm, et al. ChemRxiv, 2024
- Publication
- Apr 23, 2024
Incorporation of multiple β2-hydroxy acids into a protein in vivo using an orthogonal aminoacyl-tRNA synthetase
Hamlish NX, et al. ACS Central Science, 2024, 10(5), 1044–1053
Events
Webinar
Life Science
Materials Science
- Sep 23, 2026
Bunsen: Where Validated Scientific Workflows Meet Agentic AI
Join Schrödinger CTO Pat Lorton for an introduction to Bunsen. Pat will share how Bunsen allows researchers to set up, run, and troubleshoot multi-stage workflows without command-line friction or manual setup.
Event
Materials Science
- Sep 24th-25th, 2026
Future Food-Tech 2026
Schrödinger is excited to be participating in the Future Food-Tech 2026 conference taking place on September 24th – 25th in London, United Kingdom.
Event
Life Science
- Sep 27th – Oct 1st, 2026
25th EuroQSAR
Schrödinger is excited to be participating in the 25th European Symposium on Quantitative Structure-Activity Relationship conference taking place on September 27th – October 1st in Perugia, Italy.
Webinars
Webinar
Life Science
Materials Science
- Sep 23, 2026
Bunsen: Where Validated Scientific Workflows Meet Agentic AI
Join Schrödinger CTO Pat Lorton for an introduction to Bunsen. Pat will share how Bunsen allows researchers to set up, run, and troubleshoot multi-stage workflows without command-line friction or manual setup.
Webinar
Life Science
- Sep 10, 2026
Is structure-based drug design and toxicology ready for ion channels and transporters?
In this webinar, we will answer this question by presenting the results of a large scale study of potency prediction for seven clinically relevant ion channels and two transporters.
Webinar
Life Science
- Jun 11, 2026
Physics-Based Approaches for Exploring Off-Target Compound Binding: An In Silico Kinase Panel
This presentation describes an evaluation of a workflow based on Schrödinger’s IFD-MD and FEP methodologies applied within an in silico kinase panel.
Tutorials
- Tutorial
Structure-Based Virtual Screening using Glide
Prepare receptor grids for docking, dock molecules and examine the docked poses.
- Tutorial
Ligand Binding Pose Generation for FEP+
Generate starting poses for FEP simulations for a series of BACE1 inhibitors using core constrained docking.
- Tutorial
Homology Modeling of Protein-Ligand Binding Sites with IFD-MD
Create a homology model of TYK2 from JAK3 and including a bound ligand. Compare this model with the crystal structure for TYK2 bound to 4GIH.
Training Videos
Video
Life Science
Getting Going with Maestro BioLuminate
A free video series introducing the basics of using Maestro Bioluminate.
Video
Life Science
- Tutorial
- Video
The LiveDesign Assistant
Learn how to build and adjust coloring rules, create Freeform and Formula columns, and plot data using the LiveDesign Assistant.
Publications
- Publication
- May 8, 2026
Discovery of 2H-Pyrrolo[3,4-c]pyridin-3-one Derivatives as Type-III c-MET Inhibitors Enabled by Free-Energy Perturbation CalculationsCl
Therrien, et al. ACS Medicinal Chemistry Letters, 2026
- Publication
- Apr 8, 2026
Structure-Based Discovery of Imidazo[4,5-c]pyridine SARM1 Modulators Showing Paradoxical Activation
Albanese, et al. Journal of Medicinal Chemistry, 2026, 69(8), 9521–9536
- Publication
- Mar 21, 2026
Structure-Based Calculation of Excipient Effects on the Viscosity of Concentrated Antibody Solutions
Shelley, et al. mAbs, 2026, 18(1)
Case Studies
Case Study
Life Science
Materials Science
White Papers
White Paper
Life Science
- Jan 29, 2026
FEP+ Pose Builder — maximizing utility and productivity in FEP simulations
FEP+ Pose Builder is a methodological advancement introduced as an integrated feature to drastically enhance accessibility, user-friendliness, and productivity within the FEP+ pipeline.
White Paper
Life Science
- Oct 29, 2024
20 Years of Glide: A Legacy of Docking Innovation and the Next Frontier with Glide WS
Glide has long set the gold standard for commercial molecular docking software due to its robust performance in both binding mode prediction and empirical scoring tasks, ease of use, and tight integration with Schrödinger’s Maestro interface and molecular discovery workflows.
White Paper
Life Science
Quick Reference Sheets
- Quick Reference Sheet
Force Field Builder
A one-page guide to calculate missing torsion parameters for ligands using the Force Field Builder panel.
- Quick Reference Sheet
Ligand Interaction Diagram
A one-page guide to using the Ligand Interaction Diagram for examining ligand-receptor interactions.
- Quick Reference Sheet
GlideMap
A one-page guide to using the GlideMap GUI for ligand placement guided by experimental density.
Latest insights from Extrapolations blog
With FEP+, “The Experiment is the Limit.”
Over the past century, small molecule drugs have represented the dominant modality in drug research, enabling medical breakthroughs that have saved countless lives.
Tackling Drug Solubility: AbbVie and Schrödinger Collaborate to Advance Accurate Prediction Methods
The complexity and size of drug candidates has grown in recent years as scientists pursue novel targets once considered undruggable.
Blog
Can AlphaFold Models be Used for Structure-Based Drug Design? A Perspective Two Years In
We recently sat down with Edward Miller, Senior Director of Protein Structure Modeling at Schrödinger, to discuss his experience using AlphaFold models for SBDD.
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.
Other Resources