Jaguar for Life Science

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

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

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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.

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High precision, computationally-guided discovery of highly selective Wee1 inhibitors for the treatment of solid tumors

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Schrödinger solutions for small molecule protonation state enumeration and pKa prediction

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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.

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Morphic Therapeutic leverages digital chemistry strategy to design a novel small molecule inhibitor of α4β7 integrin

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Resolving Absolute Stereochemistry in Early Drug Discovery with VCD

Determining the absolute configuration of small molecules is important early in the drug discovery process.

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Rationalizing Non-covalent Interactions with Density Functional Theory

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