Name:
David L Mobley
Country:
USA
City:
Irvine
State/Province:
CA
ACS Member:
Member
Local Section:
L616,Orange County
International Chapter:
Technical Division Membership:
D510,Computers in Chemistry Division
Technical Division Membership Emeritus:
Subdivision Member:
ACS Activities:
Company/Institution Name:
Career Stage:
Professional
Research and Special Interests:
I am an assistant professor in the Department of Chemistry at the University of New Orleans. My group applies molecular dynamics simulations to studying biomolecular interactions, protein structure and function, and thermodynamics associated with protein-ligand binding, hydration, and solvation. We are interested in improving methods for predicting protein-ligand binding affinities. Ongoing work also focuses on computing hydration free energies and predicting these using molecular mechanics force fields. We are also interested in predicting tautomeric ratios for molecules in solution, and in predicting solubilities of small molecules using physical approaches.
Area of Expertise:
Molecular dynamics, free energy calculations, protein-ligand interactions, hydration/solvation, thermodynamics.
Years of Expertise:
1-5