Sunday, August 20, 2023

3:30 PM - 6:30 PM

6:30 PM - 8:00 PM | Dinner

Session I:  Protons in Physics and Biology
Co-chairs: Ana-Nicoleta, Bondar, University of Bucharest, Romania
                  Thomas Decoursey, Rush University Medical Center, USA

8:00 PM – 8:10 PM
Welcome from the Chairs

8:10 PM – 8:40 PM
Keynote Lecture
Robert Gennis, University of Illinois at Urbana-Champaign, USA
Structure and Proposed Mechanism of the Nicotinamide Nucleotide Transhydrogenase from E. Coli.

8:40 PM – 9:20 PM
Keynote Lecture
Gregory Voth, University of Chicago, USA
Proton Transport in Biomolecular Systems: A Remarkably Complex and Collective Phenomenon

9:20 PM  – 10:00 PM
Keynote Lecture
Menachem Gutman, Tel Aviv University, Israel
The Many-Faces Nature of Proton Transfer Reactions

Monday, August 21, 2023

7:00 AM -8:30 AM | Breakfast

8:00 AM - 6:30 PM

Session II:  Molecular Ion Transporters
Chair: Petra Hellwig, University of Strasbourg, France

09:00 AM – 09:30 AM
Jessica Swanson, University of Utah, USA
Kinetic Selection in Transporters: Teasing Out the Roles of the Electrical and Chemical Gradients

9:30 AM – 10:00 AM
Petra Hellwig, University of Strasbourg, France
Electrocatalytic and Spectroscopic Studies on Cytochrome C Oxidase, a Highly Diverse
Bacterial Membrane Protein

10:00 AM – 10:30 AM
Keiichi Inoue, University of Tokyo, Japan
The Role of Proton Transfer in Ion-Transporting Microbial Rhodopsins

10:30 AM - 10:50 AM | Coffee Break

Session III: The Hv1 Proton Channel
Chair: Tom DeCoursey, Rush University Medical Center, USA

10:50 AM – 11:00 AM
Carlos L. Gonzalez, University of Miami, USA *
Molecular Determinants of Voltage Sensor in CIHv1 Channel

11:00 AM – 11:30 AM
Francesco Tombola, University of California, Irvine, USA
Pulling the Strings of Proton Conduction: Mechanical Regulation of Voltage-Gated
Proton Channels

11:30 AM – 12:00 PM
Jana Shen, University of Maryland, USA
Mechanism of pH Sensing in the Human Voltage-Gated Proton Channel Hv1

12:00 PM – 12:30 PM
Ian Ramsey, Virginia Commonwealth University, USA
Insights into the Structural Basis of pH-Dependent Gating and H+ Permeation Mechanisms in
the Hv1 Voltage-Gated Proton Channel

12:30 PM- 1:30 PM | Lunch Break

Session IV:  Reactions at Membrane Interfaces
Chair: Marylin Gunner, City College of New York, USA

1:50 PM – 2:00 PM
Balarama Sridhar Dwadasi, University of Calgary, Canada *
Constant pH Molecular Dynamics Simulations of the Anion Exchanger-1 (AE1)

2:00 PM – 2:30 PM
Karen Fleming, Johns Hopkins University, USA
Membrane Protein Thermodynamic Measurements Enabled by Protons

2:30 PM – 3:00 PM
Ana-Nicoleta Bondar, University of Bucharest, Romania 
Dynamic Hydrogen-Bond Networks for Proton Binding and Proton Transfer at Bio-Membrane Interfaces

3:00 PM PM – 3:30 PM
Thomas DeCoursey, Rush University Medical Center, USA
Deciphering Apparent Cholesterol Effects on Voltage-Gated Proton Channels

3:30 PM- 4:00 PM | Coffee Break

Session V:  Mechanisms and Evolutionary Diversity of Molecular Proton Transporters
Chair: Keiichi Inoue, Tokyo University, Japan

4:00 PM – 4:30 PM
Boris Musset, University of Nürenberg, Germany
The Voltage-Gated Proton Channel Discovers its Family

4:30 PM – 5:00 PM
Marilyn Gunner, City College of New York, USA
How the Multiplicity of Protonation States in Proteins Supports Proton Transfers

Session VI: Proton Transfer Reactions at Heterogeneous Interfaces
Alexei Stuchebrukhov, University of California, Davis, USA

5:00 PM – 5:30 PM
Paul Champion, Northeastern University, USA *
Quantum Mechanical Tunneling In Proton Wires

5:30 PM – 5:50 PM
Florian Brünig, Freie Universität Berlin, Germany (Young Investigator Talk)
Spectral Signatures of Excess-Proton Waiting and Transfer-Path Dynamics

5:50 PM – 6:20 PM
Nadav Amdursky, Israel Institute of Technology, Israel
New Insights on Proton Transport in Biosystems Using a Light-Triggered Proton
Donor and Solid-State Protonic Devices

6:30 PM- 8:00 PM | Dinner

8:00 PM – 9:00 PM
Posters Session I

Tuesday, August 22, 2023

7:00 AM - 8:30 AM

8:00 AM - 2:00 PM

Session VII: pH- and Voltage-Dependent Proton Reactions at Membrane Interfaces
Chair: Kalina Hristova, Johns Hopkins University, USA

8:50 AM – 9:00 AM
Zhi Yue, University of Chicago, USA *
Conformational Changes and the Role of Internal Glutamate in the C1-H+ Antiporters

9:00 AM – 9:30 AM
William Wimley, Tulane University, USA 
Peptide Nanopores are Stabilized by a Cooperative Hydrogen-Bond Network

9:30 AM – 10:00 AM
Yasushi Okamura, Osaka University, Japan 
Activities of Voltage-Gated Proton Channels on Intracellular Membranes

10:00 AM – 10:30 AM
Peter Pohl, University of Linz, Austria 
Interfacial Proton Diffusion

10:30 AM - 11:00  AM | Coffee Break

Session VIII: Regulation of pH Dynamics in Cells, and pH-Regulated Membrane Reactions
Chair: Helmut Grubmüller, Max Plank Institute, Germany

11:00 AM – 11:30 AM
Kalina Hristova, Johns Hopkins University, USA
Charge-Induced Bias in EGFR Signal Transduction Across the Plasma Membrane

11:30 AM – 12:00 PM
Diane Barber, University of California, San Francisco, USA
How Intracellular pH Dynamics Regulate Cell Behaviors

12:00 PM – 12:10 PM
Ulrike Alexiev, Freie Universitäte Berlin, Germany *
From Proton Reactions to Advanced Biophysical Methods for Biomedical Application

12:10 PM - 12:20 PM
Daniel Kortzak, Forschungszentrum Jülich, Germany *
Molecular Dynamics Simulations of a Vescular Gutamate Transporter in Different Protonation States

12:20 PM - 12:30 PM
Chenghan Li, University of Chicago, USA *
Insight into the Quantitative Mechanism of Ion Selectivity of the Human Voltage-Gated Proton Channel Hv1

12:30 PM- 2:00 PM | Lunch Break

2:00 PM - 5:00 PM | Free Time

Session IX:  Proton Reactions in the Time of Exascale Computing
Chair: Jana Shen, University of Maryland, USA

5:00 PM – 5:30 PM
Sharon Hammes Schiffer, Yale University, USA
Proton-Coupled Electron Transfer in Proteins

5:30 PM – 6:00 PM
Helmut Grubmüller, Max Plank Institute, Germany
Biomolecular Simulations at Constant pH with GPU-Accelerated Fast Multipoles Electrostatics

6:00 PM - 6:20 PM
Juergen Kreiter and Amy Nava, Stanford University, USA *
Cryo-EM, Molecular Dynamics Simulations and Functional Assays Reveal Unanticipated Insights into
the Chloride/Proton Antiport Mechanism of CLC-EC1

6:30 PM - 8:00 PM | Dinner

8:00 PM – 9:00 PM
Poster Session II

9:00 PM – 10:00 PM | Get Together

Wednesday, August 23, 2023

7:00 AM - 8:30 AM

8:00 PM - 5:00 PM

Session X: Water in Membrane Reactions 
Chair: Leonid Brown, University of Guelph, Canada

8:50 AM – 9:00 AM
Valeria Baranauskaite, Ben Gurion University of Negev, Israel *
Exploring Protonation Reactions and Stability of Intact Carbonic Acid in Alcohol Solvent Mixtures

9:00 AM – 9:30 AM
Leonid Brown, University of Guelph, Canada
Conserved Hydrogen-Bond Motifs as Hubs of Stability for Human Water Channels

9:30 AM – 10:00 AM
Gebhard Schertler, Paul Scherer Institute and ETH Zurich, Switzerland
The Role of Water Molecules in the Activation Mechanism of Retinal-Binding Membrane
Proteins and G Protein-Coupled Receptors

10:00 AM - 10:30 AM
Paolo Carloni, Forschungszentrum Jülich, Germany
Massively Parallel QM/M Simulations of Proton Transfer Processes in Different Environment

10:30 AM - 10:50 AM | Coffee Break

Session XI: Protons in Cell Physiology and Disease
Chair: Paolo Carloni, Forschungszentrum Jülich, Germany

10:50 AM – 11:00 AM
Bhav Kapur, Böhringer Ingelheim, Germany *
Protons Taken Hostage

11:00 AM – 11:30 AM
Polina Lishko, University of California, Berkley, USA
Protons in Reproduction, Contraception, and Heat Production

11:30 AM – 12:00 PM
Mark D. Parker, University of Buffalo, USA
The Role of NH3 Promoting H+/OH- Flux Through the Alkali-Activated Channel Protein SLC4A11

12:00 PM – 12:30 PM
Elena Pohl, University of Vienna, Austria
Mitochondrial ATP/ADP Carrier - Proton or Fatty Acid Anion Transporter?

12:30 PM – 12:50 PM | Group photo

12:50 PM- 2:00 PM | Lunch Break

Session XII: pH Sensing and Pharmacology
Chair: Diana Barber, University of California, San Francisco, USA

2:00 PM – 2:30 PM
Dan Isom, University of Miami, USA
Proton Gating of GPCR Signaling

2:30 PM – 3:00 PM
Christoph Stein, Charité Berlin, Germany
Biophysics Meets Medicine: pH-Dependent Opioid Pain Killers

3:00 PM – 3:20 PM
Kota Katayama, Nagoya Institute of Technology, Japan (Young Investigator Talk)
Photoactivation Mechanism of Cone Opsins Regulated by Proton Transfer Reaction

3:20 PM - 3:50 PM | Coffee Break

Session XIII: Gates and Protons
Chair: Kota Katayama, Nagoya Institute of Technology, Japan

3:50 PM – 4:00 PM
Gustavo Chavez, KNMS, Paracelsus Medical University, Germany *
Biophysical Properties of Newly Found Voltage-Gated Proton Channels

4:00 PM - 4:10 PM
Christophe Jardin, KNMS, Paracelsus Medical University, Germany *
Learning About Properties of the Voltage-Gated Proton Channel From in Silico Methods

4:10 PM – 4:30 PM
Shizhen Wang, University of Missouri-Kansas City, USA  (Young Investigator Talk)
Mechanisms of Ligand Regulation in Human Voltage-Gated Proton Channel HHV1

4:30 PM – 5:00 PM
Emily Liman, University of Southern California, USA
Gating Mechanisms of OTOP Proton Channels

6:00 PM - 7:30 PM | Dinner

Session XIV: Protons in Biology, Material Sciences and Medicine: What the Future Holds
Chair: Gebhard Schertler, Paul Scherer Institute and ETH Zürich, Switzerland

7:30 PM – 8:00 PM
Peter Tieleman, University of Calgary, Canada
Transport Mechanisms of SLC4 Anion Transporters

8:00PM - 8:30 PM
Alexey Stuchebrukhov, University of California, Davis, USA
Proton Transport in Biosystems

8:30 PM - 8:45 PM
Closing Remarks 

* Short Talks selected from among submitted abstracts.