Rethinking sampling in protein ensembles: Deep-learned latent manifolds and Bayesian reweighting for cryo-EM-guided protein ensembles
Talk, American Chemical Society Spring 2026 National Meeting, Atlanta, GA
Invited Talks in Conferences and Meetings
Seekrflow: Accelerating and automating high-throughput drug discovery with multiscale simulations and AI-driven force fields
Talk, American Chemical Society Spring 2026 National Meeting, Atlanta, GA
Beyond the snapshot: From protein dynamics to drug discovery across scales
Talk, Dept. of Chemistry, University of Georgia, Athens, GA
Beyond the snapshot: From protein dynamics to drug discovery across scales
Talk, Giersch International Conference & SCALE Kick-Off 2026, Frankfurt Institute for Advanced Studies, Frankfurt am Main, Germany
Beyond the snapshot: From protein dynamics to drug discovery across scales
Talk, Department of Biological Sciences, Purdue University, West Lafayette, IN
Beyond the snapshot: Multiscale methods for proteins in motion
Talk, School of Pharmacy, University of California San Francisco, San Francisco, CA
Beyond the snapshot: Multiscale methods for proteins in motion
Talk, School of Physics and Astronomy, Rochester Institute of Technology, Rochester, NY
Statistical architectures for integrating experiments and simulations across biomolecular scales
Talk, Dept. of Chemistry and Biochemistry, Ohio State University, Columbus, OH
Geometry, Probability, and Kinetics: Data-guided strategies for interpreting biomolecular mechanisms
Talk, Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, TN
Automated multiscale milestoning simulation pipeline integrating machine-learned force fields for accelerated drug-target kinetic predictions for accelerated drug discovery
Talk, 2025 Workshop on Free Energy Methods in Drug Design, Merck Research Laboratories, Boston, MA
Automated multiscale milestoning simulation pipeline integrating machine-learned force fields for accelerated drug-target kinetic predictions for drug discovery
Talk, ASBMB 2025 Emerging Investigator Seminar, Chicago, IL
Creating 3D movies from 2D cryo-EM snapshots: Bridging deep learning-based cryo-EM image analysis with simulations for protein conformational dynamics
Talk, Biophysical Society 69th Annual Meeting, Los Angeles, CA
Next-generation multiscale computational frameworks integrating quantum mechanics, molecular simulations, Brownian dynamics, and cryo-EM for AI-driven drug discovery
Talk, Dept. of Pharmaceutical Sciences, University of Michigan, Ann Arbor, MI
Advancements and challenges in multiscale milestoning methods for efficient and accurate prediction of biomolecular kinetics
Talk, American Chemical Society Spring 2024, New Orleans, LA
Overcoming limitations in receptor-ligand (un)binding kinetic predictions by integrating quantum mechanics, molecular dynamics, and Brownian dynamics
Talk, American Chemical Society Fall 2023, San Francisco, CA
Enhancing sampling efficiency in molecular simulations of complex biomolecules: Hybrid methods combining Gaussian-accelerated MD, weighted ensemble simulations, and deep learning of kinetic models
Talk, American Chemical Society Fall 2023, San Francisco, CA
Multiscale milestoning simulations with Voronoi tessellations approach to decipher selectivity and ranking among JAK-STAT inhibitors with extended residence time
Talk, American Chemical Society Fall 2022, Chicago, IL
Deep learning of kinetic models with the Weighted Ensemble Simulation Toolkit for enhanced sampling
Talk, WESTPA Developer's Meeting, Dept. of Chemistry, University of Pittsburgh, Pittsburgh, PA
Gaussian-accelerated molecular dynamics with the weighted ensemble method to improve thermodynamic and kinetic sampling
Talk, WESTPA Developer's Meeting, Dept. of Chemistry, University of Pittsburgh, Pittsburgh, PA
Enhanced sampling approaches to gain insights into receptor-ligand binding and unbinding kinetics
Talk, Student Research Seminar, Dept. of Chemistry and Biochemistry, UC San Diego, San Diego, CA
Multiscale milestoning simulation approach for efficient protein-ligand (un)binding kinetics: Adding a quantum mechanical approach to reparameterize the bound state
Talk, American Chemical Society Fall 2021, Atlanta, GA