COVID-19 outbreak: Our constant monitoring of the coronavirus situation (Live Covid19 Data), both in Italy and globally, suggested postponing the live event to a better time. 
However, we would also like to keep the Community updated and give the possibility to present new and exciting work and to exchange ideas so we decided to start the Protein Electrostatics Webinar Series!

Schedule Details Programme


5:30pm CET, 11:30am EST, 8:30am PST

Jim Warwicker

University of Manchester (UK)

Prediction of pH-dependence in the SARS-CoV-2 spike protein ectodomain
Abstract

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5:30pm CET, 11:30am EST, 8:30am PST

Huan-Xiang Zhou

University of Illinois at Chicago (USA)

Correlated Segments and Fuzzy Membrane Association of Intrinsically Disordered Proteins
Abstract

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5:30pm CET, 11:30am EST, 8:30am PST

Steven G. Boxer

Stanford University (USA)

Electrostatics and Enzyme Catalysis
Abstract

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5:45pm CET, 11:45am EST, 8:45am PST

Miguel Machuqueiro

University of Lisbon (PT)

The pH-dependent membrane crossing mechanism of Lewis bases antitumor drugs
Abstract

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5:45pm CET, 11:45am EST, 8:45am PST

Robert Krasny

University of Michigan (USA)

A GPU-Accelerated Fast Summation Method
Abstract

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5:45pm CET, 11:45am EST, 8:45am PST

Frans A.A. Mulder

Aarhus University (DK)

Accurate and individual side chain titrations curves measured by NMR spectroscopy
Abstract

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6:00pm CET, 12:00am EST, 9:00am PST

Alexey Onufriev

Virginia Tech (USA)

Fast polarizable water model for atomistic simulations

5:45pm CET, 11:45am EST, 8:45am PST

Artemi Bendandi

Istituto Italiano di Tecnologia (IT)

Modelling Electrostatic Interactions and Solvation in Chromatin
Abstract

5:45pm CET, 11:45am EST, 8:45am PST

Tom Laue

University of New Hampshire (USA)

Measured IgG and monovalent anion binding
Abstract

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6:00pm CET, 12:00am EST, 9:00am PST

Ana Damjanovic

Johns Hopkins University (USA)

pH and other determinants of conductance of a bacterial voltage gated sodium channel
Abstract

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5:45pm CET, 11:45am EST, 8:45am PST

Manuel Antonio Ruíz Rodríguez

Polytechnic of Milan (IT)

Electrostatic modeling of the interaction of [NiFe] hydrogenases with graphite electrodes
Abstract

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5:00pm CET, 12.00 pm EDT, 9.00 am PDT

Wei Yang

Florida State University (USA)

Understanding the Role of Large-Scale Protein dynamics in Protein Electrostatics
Abstract

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5:00pm CET, 12.00 pm EDT, 9.00 am PDT

Junji Iwahara

University of Texas Medical Branch (USA)

Quantifying and visualizing weak interactions between anions and proteins
Abstract

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5:45pm CEST, 11:45am EDT, 8:45am PDT

Pedro Reis

University of Lisbon (PT)

A fast and interpretable deep learning approach to electrostatics-driven pKa predictions
Abstract

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5:45pm CEST, 11:45am EDT, 8:45am PDT

Diane L Barber

University of California San Francisco (USA)

How pH Dynamics Regulates Cell Behaviors: Bridging Protein Electrostatics and Cell Biology
Abstract

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5:45pm CEST, 11:45am EDT, 8:45am PDT

Nicolas Foloppe

Vernalis (UK)

The reorganisation energy of drug compounds upon binding to proteins: some notes about the electrostatics
Abstract

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5:45pm CEST, 11:45am EDT, 8:45am PDT

Thomas Simonson

Ecole Polytechnique, Paris (FR)

Computational enzyme design without Rosetta
Abstract

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5:45pm CEST, 11:45am EDT, 8:45am PDT

Marylin Gunner

City College, New York (USA)

Transmembrane proton pumps: Characterizing the protonation microstates in proton loading sites and transfer paths.
Abstract

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5:45pm CEST, 11:45am EDT, 8:45am PDT

António Baptista

ITQB NOVA - Institute of Chemical and Biological Technology António Xavier (Portugal)

How to address the effect of pH on protein dimerization: A constantpH MD study of beta-lactoglobulin
Abstract

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5:45pm CEST, 11:45am EDT, 8:45am PDT

Walter Rocchia

Italian Institute of Technology (Italy)

Electrostatics disguised as hydrophobicity: a new method to probe protein-ligand binding?
Abstract

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6:05pm CET, 12:05am EST, 9:05am PST

Guowei Wei

Michigan State University (USA)

Mathematical AI for drug discovery
Abstract

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5:45pm CEST, 11:45am EDT, 8:45am PDT

Nicoletta Liguori

Vrije Universiteit Amsterdam (Netherlands)

Realtime response of photoactive (macro)molecules to pH via a novel ultrafast spectroscopy tool
Abstract

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5:45pm CEST, 11:45am EDT, 8:45am PDT

Emil Alexov

Clemson University (USA)

On the role of electrostatics in molecular recognition
Abstract

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5:45pm CEST, 11:45am EDT, 8:45am PDT

Lauren Webb

University of Texas at Austin (USA)

Experiments and Simulations of Electrostatic Fields Inside Proteins
Abstract

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On June 25 and 26 there will be the Satellite meeting, supported by CECAM, entitled: "Advances in Electrostatic calculations: the road towards the Exascale"

The event will be co-organized by the Italian Institute of Technology and the CECAM-DE- JUELICH node and will focus on the HPC implementation of electrostatic calculations in the continuum and in the particle-based descriptions.

The event will be a great opportunity to mix people from the modelistic side with those from the computational development side. This will be facilitated by the co-occurrence of the Protein Electrostatics workshop.

The webinars will be accessible either via Zoom or via a dedicated youtube channel.
In order to access via Zoom you will need to be registered, you can do this here.

We recently added the possibility to submit an abstract for a flash talk, which somehow replaces the traditional poster presentation.
If you already registered only as an Attendee, you can always register again and submit an abstract, for a regular or a flash talk.

The webinars will be followed by Q&A and by a discussion.
Those who are watching the event streamed on youtube will be able to ask written questions on the youtube chat, once authenticated with their youtube account.
In order to make oral questions, or to participate to the discussion, you will need to be logged on Zoom, and therefore to be registered.

For those who won’t be able to attend the Webinars, most of them will be recorded and put on the Protein Electrostatics Youtube channel.
In case of technical problems that would require changing the the youtube link for the webinars, you will be able to find the updated link on this website.