Area of research
Molecular Biology · Computational Theory and Mathematics
Research interest
Research interests include Computational Drug Discovery Methods, Chemical Synthesis and Analysis, Machine Learning in Materials Science, and Protein Structure and Dynamics.
Deep-learning-based virtual screening of antibacterial compounds
Publisher Correction: Deep-learning-based virtual screening of antibacterial compounds
CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learning
A high-throughput phenotypic screen combined with an ultra-large-scale deep learning-based virtual screening reveals novel scaffolds of antibacterial compounds
Learning Molecular Representations for Medicinal Chemistry
Interpretable classification of Alzheimer’s disease pathologies with a convolutional neural network pipeline
Adversarial Controls for Scientific Machine Learning