Tagged: Molecular Models

Aashish Manglik, PhD, MD

Assistant Professor

I am a physician-scientist interested in understanding how the human body senses and responds to external stimuli. My research focuses on the largest group of drug targets in the human body, the G protein coupled receptors. We aim to understand the most basic principles of these receptors in order to develop new medications that are both more effective and have decreased side effects.

 

Ajay Jain, PhD

Professor In Residence

My research focuses on computational methods for improving drug discovery. I was formally trained as a computer scientist and made a transition from applied defense research to the biomedical arena in a series of Bay Area startups.

James Fraser, PhD

Associate Professor

I am a biophysicist. My research is focused on discovering the macromolecular structure and dynamics of proteins—defining conformational states essential for function and understanding transitions between these states.

Tanja Kortemme, PhD

Professor

My research seeks to invent approaches to engineer new biological functions at multiple scales, ranging from atomic details to macromolecular machines to cellular processes. By building new functions through a combination of computational design and experimental engineering, I also hope to learn how molecular design principles shape systems-level properties and, ultimately, organismal fitness.

Brian Shoichet, PhD

Professor

Our lab develops new methods for drug discovery, adopting two strategies to do so. On the one hand, we reduce biology to its molecular components, and seek to change how these fit together using synthetic molecules we design. On the other hand, we investigate how the biological molecules operate together, both in health and disease. Both processes involve intensive modeling and close collaboration between theory and experiment.

Tack Kuntz, PhD

Professor Emeritus

Since retiring, I serve as a consultant for current Department faculty.

Matt Jacobson, PhD

Chair

Research in my lab focuses on atomic-level mechanisms of protein regulation, protein-ligand interactions, and computer-aided drug design. My approach is to employ physics-based energy models for predictive protein modeling. Projects in my lab combine algorithm development and biological applications.

Thomas Ferrin, PhD

Professor

My lab develops software tool for visualizing and analyzing molecular
structures at scales ranging from the atomic to the supramolecular.

 

William DeGrado, PhD

Professor

My research focuses on small molecule and protein design as an approach to understanding macromolecule structure and function.

Andrej Sali, PhD

Professor

I am interested in the structure, function, and evolution of proteins and their assemblies. As Associate Dean of Research, I advise the dean and School leaders on research issues and opportunities and represent the School to campus research decision makers and on research-related campus committees.