Yu-Shan Lin

Company: Tufts University

Job title: Professor and Department Chair of Chemistry

Seminars:

Integrating Molecular Dynamics Simulation & Machine Learning for Cyclic Peptide Structure Prediction 8:50 am

A significant obstacle preventing the rational or structure-based design of cyclic peptides is that little solution structural information is available for these molecules, since most cyclic peptides adopt multiple conformations in solution, existing as structural ensembles Developing the StrEAMM (Structural Ensembles Achieved by Molecular dynamics and Machine learning) platform for cyclic peptides by combining molecular…Read more

day: Conference Day One