Area of research
Computational Theory and Mathematics · Molecular Biology
Research interest
Research interests include Computational Drug Discovery Methods, Machine Learning in Materials Science, Protein Structure and Dynamics, and Acute Myeloid Leukemia Research.
Artificial intelligence–enabled virtual screening of ultra-large chemical libraries with deep docking
The transformational role of GPU computing and deep learning in drug discovery
The value of antimicrobial peptides in the age of resistance
DeepCOP: deep learning-based approach to predict gene regulating effects of small molecules.
Quantitative Structure-Price Relationship (QS$R) Modeling and the Development of Economically Feasible Drug Discovery Projects.