MPSDC 2015 Annual Meeting
Chicago, IL, USA • April 29 – May 1st, 2015 • Hosted by MPSDC
DAY 1: Wednesday, April 29th
8:00am-12:00pm | Mini-symposium: Computational Modeling
1:00pm-4:00pm | Workshop: Exploring the Interface Between Computation and Experiment
4:00pm-6:00pm | Round table: Membrane protein conformation & structural heterogeneity at the single molecule level
DAY 2: Thursday, April 30th
8:45am-5:00pm | Scientific Sessions: MPSDC Projects and Cores
DAY 3: Friday, May 1st
8:30am-1:00pm | Featured Talks: At the Vanguard of Membrane Protein Structural Dynamics
Wednesday April 29th
Computational Modeling Mini-Symposium
Gleacher Center Room 304
Color code: (Benoît Roux’s lab) (Emad Tajkhorshid’s lab) (Wonpil Im’s lab) (Klaus Schulten’s lab)
| 7:30 | Continental Breakfast |
| 8:00 | Wonpil Im Updates on the overall CHARMM-GUI development project |
| 8:15 | Yifei Qi CHARMM-GUI HMMM Builder and Martini Maker for membrane simulations |
| 8:30 | Brian Radak Implementation of a constant pH simulation method in NAMD |
| 8:45 | Rong Shen DEER data with the restrained-ensemble MD method implemented in NAMD |
| 9:00 | Abhisek Singha Roy xMDFF refimenets of synthetic abiological molecules: macromolecular crystallography to the rescue of small-molecule structure determination |
| 9:20 | Koon Heng Ivan Teo MDFF strategies for high-resolution EM maps |
| 9:40 | Coffee break |
| 10:00 | Soohyung Park How tolerant are membrane simulations with mismatch in area per lipid between leaflets? |
| 10:20 | Sundar Thangapandian Role of lipids in conformational equilibrium of P-glycoprotein between inward and outward-facing states |
| 10:40 | Tao Jiang Differential anion binding and conformational coupling modes of ClC transporters |
| 11:00 | Noah Trebesch Elevator mode of transport in a bacterial Na-coupled transporter |
| 11:20 | Huan Rui Small charge movements in the function of the Na/K pump |
| 11:40 | Avisek Das The transport cycle of the calcium pump SERCA |
Workshop: Exploring the Interface Between Computation and Experiment
Gleacher Center Room 200. Notice the room change between sessions.
| 12:55 | Introduction: Robert Nakamoto, University of Virginia |
| 1:00 | Vasanthi Jayaraman, University of Texas, Houston Spectroscopic investigations of ligand gated ion channels |
| 1:30 | Ka-Yee Lee, University of Chicago Differential Phosphatidylserine Recognition by the TIM Family of Immune Regulatory Receptors |
| 2:00 | Julio Fernandez, Columbia University The physics of titin and muscle function |
| 2:30 | Break |
| 2:45 | Markus Weingarth, Utrecht University The Supramolecular Organization of Ion Channels as seen by ssNMR and MD simulations |
| 3:15 | Steve Ludtke, Baylor College of Medicine CryoEM of Membrane Proteins, from Peptides to Large Oligomers |
Round table: Membrane protein conformational & structural heterogeneity at the single molecule level
Gleacher Center Room 600. This round table will run from 4:00 to 6:00. Notice the room change between sessions.
Introduction: Eduardo Perozo, University of Chicago, Moderator
Claudio Grosman, University of Illinois at Urbana-Champaign
Single-molecule electrophysiology: multiple conformations inferred from dwell-time and current-amplitude measurements
Steve Ludtke, Baylor College of Medicine
Single particle imaging
Julio Fernandez, Columbia University
Single molecule force measurements and energy landscapes
Yeon-Kyun Shin, Iowa State University
Conformational heterogeneity and errors in single molecule FRET
Tobin Sosnick, University of Chicago
Identification of H-bond levels in individual proteins as they fold using hydrogen exchange and mass spectrometry
Katherine Henzler-Wildman, University of Wisconsin, Madison
Heterogeneity in the ensemble through solution NMR
Reception / Poster Session
Gleacher Center Room 600, from 6:00.
Thursday April 30th
MPSDC Annual Meeting
Gleacher Center Room 200
| 8:15 | Continental Breakfast |
| 8:45 | Eduardo Perozo, University of Chicago Welcome and State of the MPSDC |
Session I (Olga Boudker, Weill Cornell Medical College, Chair)
| 9:00 | Bridge Project 1: Conformational Transitions in P-class ATPases Robert Nakamoto (PI), Francisco Bezanilla, Yifan Cheng, Chris Ahern, Miguel Holmgren, Benoît Roux, Klaus Schulten |
| 9:30 | Bridge Project 2: Structural Dynamics of ABC Transporter Hassane Mchaourab (PI), Yeon-Kyun Shin, Tae-Young Yoon, Emad Tajkhorshid |
| 10:00 | Bridge Project 3: The Transport Cycle in Neurotransmitter Uptake Systems Jonathan Javitch (PI), Hassane Mchaourab, Robert Nakamoto, Harel Weinstein |
| 10:30 | Break |
Session II (Tobin Sosnick, University of Chicago, Chair)
| 10:45 | Bridge Project 4: Dynamics of Ion Permeation and Conformational Coupling in K+ Channels Eduardo Perozo (PI), Marc Baldus, Katherine Henzler-Wildman, Benoît Roux, José Faraldo-Gómez |
| 11:15 | Bridge Project 5: Conformational Dynamics in the CLC Channel/Transporter Family Merritt Maduke (PI), Hassane Mchaourab, Emad Tajkhorshid |
| 11:45 | Bridge Project 6: H-bond Dynamics and α-helix Conformational Flexibility James Bowie (PI), Volker Dötsch, Eduardo Perozo, Francis Valiyaveetil, Emad Tajkhorshid |
| 12:15 | Lunch |
Session III (Anthony Kossiakoff, University of Chicago, Chair)
| 1:15 | Pilot Project 1: Investigating Conformational Changes in a Saccharide Transporter Ming Zhou (PI) |
| 1:45 | Pilot Project 2: Single Molecule Conformational Dynamics in GPCR Georgios Skiniotis (PI) |
| 2:15 | Pilot Project 3: Conformational Dynamics in Pentameric Ligand-gated Ion Channels Claudio Grosman (PI) |
| 2:45 | Break |
Session IV (Hassane Mchaourab, Vanderbilt University, Chair)
| 3:00 | Computational Modeling Core Benoît Roux (PI), Wonpil Im, Vijay Pande, Klaus Schulten, Tobin Sosnick, Emad Tajkhorshid, Harel Weinstein |
| 3:30 | Protein and Chemistry Core Robert Nakamoto (PI), Andrzej Rajca, Volker Dötsch, Eduardo Perozo, Chris Ahern, Francis Valiyaveetil |
| 4:00 | Synthetic Antigen Binder Core Anthony Kossiakoff (co-PI), Shohei Koide (co-PI) |
| 4:30 | Spectroscopy Core Francisco Bezanilla (PI), Scott Blanchard, Daniella Goldfarb, Hassane Mchaourab, Yeon-Kyun Shin, Tae-Young Yoon |
Friday May 1st
Featured Talks: At the Vanguard of Membrane Protein Structural Dynamics
Gleacher Center Room 200
| 8:00 | Continental Breakfast |
| 8:30 | Introduction: Francisco Bezanilla, University of Chicago |
| 8:40 | Sriram Subramaniam, National Institute of Health Cryo-EM of membrane proteins and protein complexes at near-atomic resolution |
| 9:20 | Amy Rosenzweig, Northwestern University An integral membrane metalloenzyme involved in biological methane oxidation |
| 10:00 | Klaus Schulten, University of Illinois at Urbana-Champaign Modeling of Large Scale Membrane Processes |
| 10:40 | Break |
| 11:00 | Mei Hong, Massachusetts Institute of Technology Structure, Dynamics and Mechanism of Actions of Viral Proteins from Solid-State NMR |
| 11:40 | David Clapham, Harvard Medical School The Ion channels of Cilia |
| 12:20 | Brian Kobilka, Stanford University Structural insights into the dynamic process of G protein coupled receptor activation |
| 1:00 | End of Meeting / Lunch |
