Kazi Lutful Kabir

Latest

• Improved protein decoy selection via non-negative matrix factorization
• From Molecular Energy Landscapes to Equilibrium Dynamics via Landscape Analysis and Markov State Models
• Unsupervised and supervised learning over the energy landscape for protein decoy selection
• Graph-Based Community Detection for Decoy Selection in Template-Free Protein Structure Prediction
• Connecting Molecular Energy Landscape Analysis with Markov Model-based Analysis of Equilibrium Structural Dynamics
• Unsupervised Learning of Conformational States Present in Molecular Dynamics Simulation Data for Summarization of Equilibrium Conformational Dynamics