Resources

• 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.

• Apr 27, 2023

Advancing a Pipeline of Drug Discovery Programs Using Diverse Machine Learning Strategies Coupled with Physics-Based Simulations

In this webinar, we describe how we are integrating machine learning strategies with physics-based modeling technologies within Schrödinger’s Therapeutics Group.

• Mar 14, 2023

Expect Success: Modern Virtual Screening Technologies that Actually Deliver High-Quality, Developable Hits

In this webinar, we describe several recent case studies from the Schrödinger Therapeutics Group where this modern large-scale virtual screening workflow resulted in double-digit hit rates across a diverse range of targets.

• Dec 7, 2022

Chinese: 2022薛定谔秋季中文生命科学网络讲座 | 基于物理理论的计算模拟 – 如何准确预测小分子晶体的结构和溶解度

对固态科学家来说，药物晶体形式的改变是药物研发后期甚至上市后是非常严重的，打击性极强的问题。

• Nov 24, 2022

Chinese: 2022薛定谔秋季中文生命科学网络讲座 | 用最新的基于物理计算方法为基于结构的药物研发开辟新天地

近年来，随着新的高预测性、基于物理理论方法的发展与其加速发现新型临床化合物能力的展现，基于结构的药物发现 (SBDD) 策略的价值得到提升。

• Nov 10, 2022

Chinese: 2022薛定谔秋季中文生命科学网络讲座 | 薛定谔计算模拟技术助力新型 D-氨基酸氧化酶抑制剂的发现

D-Serine是N-甲基d-天冬氨酸 (NMDA) 受体的共激动剂，而NMDA受体是一种关键的兴奋性神经递质受体。

• Oct 27, 2022

Chinese: 2022薛定谔秋季中文生命科学网络讲座 | AutoDesigner，一种通过快速探索大型化学空间来优化先导化合物的从头设计算法

这算法值需要单个有活性数据和假想结合模式的小分子，非常适合早期数据贫乏的SBDD项目。