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List of works by Yujun Tao

Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery

scientific article published on 16 September 2020

Effective flocculation of target microalgae with self-flocculating microalgae induced by pH decrease.

scientific article published on 17 June 2014

Freshwater microalgae harvested via flocculation induced by pH decrease

scientific article published on 09 July 2013

Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials

scientific article published on 16 July 2020

Modern semiempirical electronic structure methods and machine learning potentials for drug discovery: Conformers, tautomers, and protonation states

scientific article published on 06 March 2023

QDπ: A Quantum Deep Potential Interaction Model for Drug Discovery

scientific article published on 25 January 2023

Validation of Free Energy Methods in AMBER

scientific article published on 18 June 2020

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