Concepedia

Developing a Naïve Bayesian Classification Model with PI3Kγ structural features for virtual screening against PI3Kγ: Combining molecular docking and pharmacophore based on multiple PI3Kγ conformations

Yingmin Jiang, Wendian Xiong, Lei Jia, Lei Xu, Yanfei Cai, Yun Chen, Jian Jin, Mingzhu Gao, Jingyu Zhu

European Journal of Medicinal Chemistry · 2022 · 27 citations · 38 references

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38

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

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Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking

Michael M. Mysinger, Michael Carchia, John J. Irwin et al. · Journal of Medicinal Chemistry · 2012 · 2.4K citations · Full text

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Classification assessment methods

Alaa Tharwat · Applied Computing and Informatics · 2018 · 2.3K citations · Full text

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Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?

Dávid Bajusz, Anita Rácz, Károly Héberger · Journal of Cheminformatics · 2015 · 1.6K citations · Full text

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A Pharmacological Map of the PI3-K Family Defines a Role for p110α in Insulin Signaling

Zachary A. Knight, Beatriz González, Morri E. Feldman et al. · Cell · 2006 · 1.2K citations · Full text

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