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Andrej Sali

Professor

Hilary Mahon

Data Analyst

• Mission: To keep us sane.

Max Bonomi

Postdoctoral Scholar

• Development and application of enhanced sampling algorithms

Guangqiang Dong

Postdoctoral Scholar

• Development and application of statistical potentials for modeling and analyzing structures of proteins and their assemblies

Hao Fan

Postdoctoral Scholar

• Structure prediction on protein-ligand complex
• Small compound virtual screening using comparative models of proteins
• Structure and function prediction of amidohydrolase

Jeremy Horst

Postdoctoral Scholar

• Application of methods for virtual screening, structure template identification, and ligand ensemble similarity analysis to discover lead inhibitors of dental cariogenic bacteria.

Seung Joong Kim

Postdoctoral Scholar

• Biological SAXS (Small Angle X-ray Scattering) experiments
• Integration of SAXS data into structural and homology modeling of proteins and their assemblies

Riccardo Pellarin

Postdoctoral Scholar

• Integrative structure determination of macromolecular assemblies based on inconsistent data sets

Barak Raveh

Postdoctoral Scholar

• My aim is to create a data-driven model of nucelocytoplasmic transport through the Nuclear Pore Complex, based on multiple sources of experimental data.

Daniel Russel

Postdoctoral Scholar

• Integrative modeling of the dynamics of transport through the NPC
• Optimizing the representational level of detail when modeling assemblies
• Kinetic data structures and other means of maintaining geometric data structures on moving primitives

Dina Schneidman

Postdoctoral Scholar

• Structural characterization of protein assemblies
• Dynamics of protein folding
• Antibody-antigen interactions

Patrick Weinkam

Postdoctoral Scholar

• Structural characterization of protein substates found in the conformational space accessible to a protein due to evolution
• Relating such protein substates to the local minima found in a protein's energy landscape

Sara Calhoun

Graduate Student

Graduate Program in Biophysics

• Refinement of protein binding sites in comparative models.
• Comparative modeling of glutathionine S-transferases.

Peter Cimermancic

Graduate Student

Graduate Program in Biological and Medical Informatics

• As a new lab member, I'll spend some time sampling host-pathogen biology and drug-discovery space.

Charles Greenberg

Graduate Student

Graduate Program in Biological and Medical Informatics

• Developing techniques to evaluate the accuracy of protein models derived from electron microscopy studies
• Modeling transport through the nuclear pore complex
• Creating new ways of representing non-atomistic models of biological structures

Natalia Khuri

Graduate Student

Graduate Group in Biophysics

• Agent-based simulations of macromolecular processes in living cells.
• Simulating the formation of macromolecular complexes with Brownian Dynamics.
• Profiling inhibitors of organic cation transporters (with K. Giacomini).
• Protein homeostasis mechanism underlying enterovirus replication and evolution (with R. Andino and N. Krogan).

Adrian Stecula

Graduate Student

Graduate Group in Pharmaceutical Sciences and Pharmacogenomics

• Intelligent design of novel ligands of SLC family members using structure-based approaches.
• Modeling of biological pathway and transporter interactions using systems pharmacology-based approaches.

Ursula Pieper

Associate Researcher

• ModBase: A database of comparative protein structure models
• Target Selection and Annotation for Structural Genomics
• Comparative models for Molecular Replacement
• Systems Administration

Elina Tjioe

Specialist

• Development of the IMP platform for assemblies and modeling.
• Systems administration.

Ben Webb

Academic Coordinator

• Development of the Modeller package for comparative modeling.
• Development of the IMP platform for assemblies and modeling.
• Refinement of protein structure models.
• Systems administration.