Identification of and Structural Insights into Hit Compounds
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Compound Library Screening, Hit Identification & Optimization

CADD in drug discovery/design pipeline. A therapeutic target is

Structure based virtual screening: Fast and slow - Varela‐Rial - 2022 - WIREs Computational Molecular Science - Wiley Online Library

Turning high-throughput structural biology into predictive inhibitor design

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Compound Screening Cascade

High-content phenotypic and pathway profiling to advance drug discovery in diseases of unmet need - ScienceDirect

Rapid Identification of Potential Inhibitors of SARS‐CoV‐2 Main Protease by Deep Docking of 1.3 Billion Compounds - Ton - 2020 - Molecular Informatics - Wiley Online Library

Solutions for challenging targets with difficulty in hit identification - Axcelead Drug Discovery Partners, Inc.

Frontiers In silico identification of potential inhibitors of acyl carrier protein reductase and acetyl CoA carboxylase of Plasmodium falciparum in antimalarial therapy

Structural insights into probe-dependent positive allosterism of the GLP-1 receptor
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