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Empowering scientists with integrated AI/ML modeling for rapid molecular property predictions Webinar Life Science
  • Aug 13, 2024
Empowering scientists with integrated AI/ML modeling for rapid molecular property predictions

In this webinar, we will present LiveDesign Learning, a new module in Schrödinger’s LiveDesign collaborative enterprise informatics platform, for training and deploying state-of-the-art AI/ML models with minimal manual intervention.

Expediting FEP+ model optimization for challenging systems with a fully automated, machine learning-driven workflow Webinar Life Science
  • Jun 25, 2024
Expediting FEP+ model optimization for challenging systems with a fully automated, machine learning-driven workflow

FEP+ is a powerful predictive technology in drug discovery – with applications from hit discovery through lead optimization. A critical first step in deploying FEP+ is to validate and optimize the model for the protein-ligand system of interest.

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11回 Webinar Life Science
  • Jun 18, 2024
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11回

強固なコンフォメーションのアンサンブル生成能力、受容体との相互作用を予測するための新しいドッキングワークフロー、ペプチド薬開発における特性空間の微調整の強化など、進化した構造ベースのツールを用いた事例を紹介します

LiveDesign for Biologics: Improving and expediting biologics discovery with a centralized, collaborative informatics platform Webinar Life Science
  • May 21, 2024
LiveDesign for Biologics: Improving and expediting biologics discovery with a centralized, collaborative informatics platform

Biologics discovery teams are in need of a comprehensive way to capture and analyze immense amounts of data across all stages of the discovery process.

Introducing PyMOL 3: Bring your biochemistry to life with 3D molecular visualization and movie making Webinar Life Science
  • Apr 25, 2024
Introducing PyMOL 3: Bring your biochemistry to life with 3D molecular visualization and movie making

With PyMOL 3, we’re taking molecular visualization to new heights – empowering scientists, educators, marketers, and communicators to bring their science to life.

 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~   Webinar Life Science
  • Mar 28, 2024
 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~  

AI/Machine LearningによるアクティブラーニングとAbsolute Binding FEP+を活用した新しいバーチャルスクリーニング手法最新の創薬研究事例を紹介します。

Schrödinger デジタル創薬セミナー:  Free Energy Calculations beyond Small Molecule Binding: Predicting Antibody Affinity, pH Sensing, Receptor Functional Response and More Webinar Life Science
  • Mar 19, 2024
Schrödinger デジタル創薬セミナー:  Free Energy Calculations beyond Small Molecule Binding: Predicting Antibody Affinity, pH Sensing, Receptor Functional Response and More

この講演では、FEP+メソッドの最近の拡張により、小分子結合以外の高付加価値のアプリケーションが能になった事例を紹介します

Accurate modeling of receptor functional response: GPCRs and beyond Webinar Life Science
  • Feb 28, 2024
Accurate modeling of receptor functional response: GPCRs and beyond

In this webinar, we present a tractable and computationally efficient protocol that can accurately and reliably predict the functional response of a receptor to ligand binding.

Life Science: FEP+ Webinar Life Science
  • Feb 21, 2024
Schrödinger デジタル創薬セミナー: Impacting drug discovery programs with large-scale de novo design

高品質な化学物質の創製をより包括的かつ効果的に可能にする技術の開発は、薬物探索の長年の目標でした。

Life Science: FEP+ Webinar Life Science
  • Jan 25, 2024
Impacting Drug Discovery Programs with Large-Scale De Novo Design

Developing technologies to more comprehensively and effectively enable de novo design of high-quality chemical matter has been a long-standing goal of drug discovery.

Chinese Webinar: 薛定谔中文讲座:DLK在计算机辅助药物设计中的案例研究 ,网络讲座录制 计算机驱动用于治疗神经退行性疾病的高效、高选择性和穿透脑血屏障的DLK抑制剂的发现 Webinar Life Science
  • Dec 20, 2023
Chinese Webinar: 薛定谔中文讲座:DLK在计算机辅助药物设计中的案例研究 ,网络讲座录制 计算机驱动用于治疗神经退行性疾病的高效、高选择性和穿透脑血屏障的DLK抑制剂的发现

双亮氨酸拉链激酶(DLK)(又名MAP3K12)是混合系谱激酶(MLK)家族的成员,它包含一个N-末端激酶结构域,后面跟着两个亮氨酸拉链结构域以及一个富含甘氨酸/丝氨酸/脯氨酸的C-末端结构域。它主要在神经元细胞中表达,特别是在神经元的突触末端和轴突中

In silico enabled discovery of KAI-11101, a potent, selective, and brain-penetrant DLK inhibitor for the treatment of neurodegenerative diseases Webinar Life Science
  • Dec 12, 2023
In silico enabled discovery of KAI-11101, a potent, selective, and brain-penetrant DLK inhibitor for the treatment of neurodegenerative diseases

In this webinar, we will detail the program led by Schrödinger Therapeutics Group to discover a novel, potent, selective, and brain-penetrant DLK inhibitor (KAI-11101).

Case Studies

Events

Institute of Food Technologists Conference Event Materials Science
  • Jul 14th-17th, 2024
Institute of Food Technologists Conference

Schrödinger is excited to be participating in the Institute of Food Technologists Conference taking place on July 14th – 17th in Chicago, Illinois.

 Japan Drug Discovery Summit 2024 Event Life Science
  • Jul 18, 2024
 Japan Drug Discovery Summit 2024

サミットでは、新規テクノロジーの開発状況を始め、実際の創薬プロジェクトでの活用事例を、国内外のユーザー様からのご発表を含めてご紹介します。

GRC Computational Materials Science and Engineering Event Materials Science
  • Jul 21st-26th, 2024
GRC Computational Materials Science and Engineering

Schrödinger is excited to be participating in the GRC Computational Materials Science and Engineering conference taking place on July 21st – 26th in Newry, Maine.

Publications

  • Publication
  • Jun 19, 2024
Structures of synaptic vesicle protein 2A and 2B bound to anticonvulsants
Mittal A, et al. Nature Structural & Molecular Biology, 2024
  • Publication
  • Apr 23, 2024
FEP augmentation as a means to solve data paucity problems for machine learning in chemical biology
Burger PB, et al. J. Chem. Inf. Model., 2024, 64(9), 3812–3825

Webinars

Empowering scientists with integrated AI/ML modeling for rapid molecular property predictions Webinar Life Science
  • Aug 13, 2024
Empowering scientists with integrated AI/ML modeling for rapid molecular property predictions

In this webinar, we will present LiveDesign Learning, a new module in Schrödinger’s LiveDesign collaborative enterprise informatics platform, for training and deploying state-of-the-art AI/ML models with minimal manual intervention.

Expediting FEP+ model optimization for challenging systems with a fully automated, machine learning-driven workflow Webinar Life Science
  • Jun 25, 2024
Expediting FEP+ model optimization for challenging systems with a fully automated, machine learning-driven workflow

FEP+ is a powerful predictive technology in drug discovery – with applications from hit discovery through lead optimization. A critical first step in deploying FEP+ is to validate and optimize the model for the protein-ligand system of interest.

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11回 Webinar Life Science
  • Jun 18, 2024
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11回

強固なコンフォメーションのアンサンブル生成能力、受容体との相互作用を予測するための新しいドッキングワークフロー、ペプチド薬開発における特性空間の微調整の強化など、進化した構造ベースのツールを用いた事例を紹介します

White Papers

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Latest insights from Extrapolations blog

With FEP+, “The Experiment is the Limit.”
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 (FEP)
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.

Can AlphaFold Models be Used for Structure-Based Drug Design? A Perspective Two Years In 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.