Desmond K. Loke

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Lunna Li (1)Lianna D. Soriano (1)W. M. Kedir (1)Felix L. Hoch (1)

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Sep 3, 2026

Lunna Li +4Sep 3, 2026

Artificial intelligence and ultra-high performance computing methods and experiments for drug discovery: virtual screening, deep learning, molecular dynamics simulations, ADMET modelling, and experimental validation

The expansion of chemical space, advanced virtual screening, deep learning, molecular dynamics simulations, Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) modelling, and challenges for drug discovery are discussed.

Lunna Li, Lianna D. Soriano, W. M. Kedir +2

Desmond K. Loke

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Desmond K. Loke

Publication activitypapers/week, last 8 weeks

Frequent co-authors

Papers (1)