Resources

• Oct 4, 2023

Leveraging machine learning applications combined with physics-based modeling for drug discovery

Machine learning strategies in drug discovery are becoming increasingly popular and can be used in various areas.

• Sep 28, 2023

Structure-Based Drug Discovery Without a Structure: Enabling Accurate FEP+ Predictions for Challenging Targets and ADMET Anti-Targets

In this webinar, we showcase the successful utilization of unique technologies and dedicated workflows to enable accurate FEP+ predictions.

• Sep 14, 2023

Beyond the Lab: Unleashing the Potential of In Silico Modeling in Drug Product Formulation

In this webinar, we explore Schrödinger’s leading molecular modeling and machine learning platform.

• Sep 7, 2023

Design of a Highly Selective, Allosteric, Picomolar TYK2 Inhibitor in Clinical Development

In this webinar, we highlight key moments from the discovery of this potentially best-in-class selective, allosteric, picomolar inhibitor of TYK2.

• Sep 6, 2023

Chinese: Physics-based Design of Bifunctional Degraders, Virtual 基于物理理论设计的双功能降解剂，网络讲座录制

具有两个配体和一个 Linker 的双功能 分子能够结合E3连接酶与靶蛋白，从而促使靶蛋白降解。

• Jul 20, 2023

Japanese: Schrödinger デジタル創薬セミナー Into the Clinic ~計算化学がもたらす創薬プロセスの変貌~

Mucosa-associated Lymphoid Tissue Lymphoma Translocation Protein 1 (MALT1) is a genetically validated target for the treatment of diseases associated with lymphocyte regulation.

• Jul 20, 2023

In Silico Driven Drug Discovery of Integrin Inhibitors for Unmet Medical Need

• Jul 7, 2023

Chinese: LiveDesign 转变合作式的药物发现 | LiveDesign transforming collaborative drug discovery

In this webinar, we present a demonstration of our enterprise informatics platform solution, LiveDesign, which brings together assay data, model results, idea capture, and collaborative workflows to accelerate the drug discovery and design process

• Jun 27, 2023

Japanese: Schrödinger デジタル創薬セミナー Into the Clinic ~計算化学がもたらす創薬プロセスの変貌~ 第2回

Inhibitors of integrin αvβ6 have the potential to treat fibrotic disease through blockage of the TGFβ pathway.

• Jun 21, 2023

The Predict-First Paradigm: How Digital Chemistry is Changing Drug Discovery

In this webinar, we walk through the digital chemistry strategy used by Schrödinger’s Therapeutics Group, which has led to several successful clinical-stage drug candidates.

• Jun 15, 2023

Computational drug design and chemo-informatics: a hands-on course at the University of Antwerp

During the theoretical sessions, students learn about chemo-informatics and virtual screening, which includes concepts such as chemical fingerprints, molecular similarity, clustering, machine learning models, and virtual screening performance metrics.

• May 9, 2023

Into the Clinic: Developing potent and selective kinase inhibitors using at-scale FEP and protein FEP: a Wee1 case study

In this webinar, we discuss the discovery of novel Wee1 kinase inhibitors using a strategy that couples ligand free energy calculations with protein free energy calculations to simultaneously find promising chemical matter and de-risk for off-target liabilities.