March 2022 "March 3, 2022 Susanna Naggie, MD, and Sudarshan Rajagopal, MD, PhD Two School of Medicine faculty members — Susanna Naggie, MD , and Sudarshan Rajagopal, MD, PhD — have been elected to the

For class B GPCRs, previous molecular dynamics (MD) simulation studies have shown PI(4,5)P2 interacting In this work, we applied MD simulations supported by native mass spectrometry (nMS) to study lipid interactions

Molecular dynamics (MD) simulations on a 1-μs time scale and metadynamics-enhanced conformational sampling peptide ligand endomorphin-1 (EM-1) underwent almost no significant conformational changes during the MD

binding affinity between host and pathogen proteins were identified using molecular docking and dynamics (MD The docked scores of Complex 1, Complex 2, and Complex 3 were validated using MD simulation analysis,

For the past 30 years, he has been the Director of MD/Ph.D. training program at UCSD and has served as

Investigator at the National Institutes of Health in the Laboratory of Bioorganic Chemistry in Bethesda, MD