University of California-San Diego · PharmacologyLab for Computational Drug Discovery
Michael K. Gilson · La Jolla, California
Research Focus
Dr. Michael K. Gilson's lab at UC San Diego focuses on innovative drug design through advanced computational methods. The team aims to deepen our understanding of how proteins interact with small molecules, which is crucial for developing new drugs. By mapping thermodynamic properties of proteins and their surroundings, they seek to reveal insights that can improve ligand design and identify potential new drug targets.
computational drug designprotein-ligand interactionsthermodynamic mappingmolecular dynamicsligand optimization
Research Aims
5AIM 01Develop novel computational methods for understanding protein-ligand binding thermodynamics.
AIM 02Create open-source software for mapping free energy and entropy in biomolecular systems.
AIM 03Identify thermodynamic factors that influence ligand affinity.
AIM 04Explore cryptic binding sites in proteins and their thermodynamic properties.
AIM 05Enhance drug design through computationally guided ligand optimization.
Skills the Lab Values
molecular dynamics simulationsthermodynamic analysisprotein modelingsoftware developmentdata visualization
Output against the department
Publications418top 15% of dept.69th of 462
this lab
most publishedleast published
Citations30ktop 9% of dept.41st of 462
this lab
most citedleast cited
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