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Position Available

I am looking for self-motivated students including undergraduate and graduate students, and visitors to join my group. Ideal candidates should be interested in machine learning, computational biology, or closely related areas. Please contact me if you are interested.

Introduction

I am an Assistant Professor in Department of Mathematics at University of Kentucky.

News
SIAM News

Math and AI-based Repositioning of Existing Drugs for COVID-19

Research Group

Current group members Dr. Masud Rana , Postdoc (2021 - Present) Farjana Tasnim Mukta, PhD Student (2021 - Present) Benjamin Philpot, Undergraduate Student (2022 - Present) Avery Meyer, Undergraduate Student (2022 - Present)

Research Interests

Machine Learning Multiscale manifold regularization, Convolution neural network (CNN), Graph convolution neural network (GNN), Multitask learning, Transfer learning, Autoencoder, Generative network complex (GNC), Generative adversarial network (GAN), Reinforcement learning.
Data analysis Low-dimensional mathematical representations, Knowledge based driven data analysis.
Mathematical models for bioscience Differential geometry representations, Multiscale weighted colored algebraic graphs, Topological learning, Flexibility-rigidity index (FRI) for biomolecules, Geometry based solvation modeling.
Quantitative systems pharmacology Develop mechanistic system biology model, Investigate potential therapeutic drug targets.
Numerical methods for PDEs High order interface methods, Geophysical flow, Electrostatic binding analysis.

Funding Support

DMS-2053284

DMS-2151802

Bristol-Myers Squibb

Pfizer

Michigan Economic Development Corp

D3R Grand Challenges 4

Our team was the top performer

D3R Grand Challenges 3

Predictions of our team were ranked 1st in 10 of 26 predictive tasks

D3R Grand Challenges 2

Our prediction was ranked 1st for Set 1 (Stage2)

Online Server: FRI

Online server for the flexibility analysis of biomolecules based on flexibility and rigidity index.

FRI
Online Server: RI-Score

Online server for geometric graph theory or rigidity index (RI) based scoring function for protein ligand binding affinity prediction.

RI-Score
Online Server: DG-GL

Online server for differential geometry based geometric data analysis of molecular datasets.

DG-GL
Online Server: AGL-Score

Online server for algebraic graph theory based protein-ligand binding scoring, ranking, docking and screening.

AGL-Score
2020© Duc D. Nguyen