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Multi-resolution simulations of intracellular processes

Event

Location

Kavli Royal Society Centre, Chicheley Hall, Newport Pagnell, Buckinghamshire, MK16 9JJ

Overview

Theo Murphy international scientific meeting organised by Professor Radek Erban, Dr Sarah Harris and Dr Raffaello Potestio.

Intracellular processes, copyright: Dr Raffaello Potestio

Multi-resolution methods for spatio-temporal modelling of intracellular processes have potential to bridge the gap between all-atom molecular dynamics simulations and stochastic reaction-diffusion models in the macroscopic limit. This scientific meeting will bring together mathematicians, biophysicists and computational biologists to discuss the development of new multi-resolution methods, the analysis of their accuracy, convergence and efficiency, and biological applications.

The schedule of talks and speaker biographies are available below. Recorded audio of the presentations will be available on this page after the meeting has taken place.

Poster session

There will be a poster session at 17:00 on Monday 24 September. If you would like to apply to present a poster please submit your proposed title, abstract (not more than 200 words and in third person), author list, name of the proposed presenter and institution to the Scientific Programmes team no later than Friday 31 August 2018. Please note that places are limited and posters are selected at the scientific organiser's discretion. Poster abstracts will only be considered if the presenter is registered to attend the meeting.

Attending the event

This is a residential conference, which allows for increased discussion and networking

  • Free to attend
  • Advanced registration essential (please request an invitation)
  • Catering and accommodation available to purchase during registration

Enquiries: contact the Scientific Programmes team

Event organisers

Select an organiser for more information

Schedule of talks

24 September

09:00-12:30

Session 1

5 talks Show detail Hide detail

Chairs

Professor Radek Erban, University of Oxford, UK

09:00-09:05 Welcome by the Royal Society and organisers

09:05-09:30 Polymer/lipids membranes

Dr Paola Carbone, University of Manchester, UK

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09:45-10:15 Addressing the dynamics of Flaviviruses with multiscale simulations

Sergio Pantano, Institute Pasteur, Montevideo, Uruguay

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11:00-11:30 Compartmentalisation and crowding in artificial membranes

Professor Zan Luthey-Schulten, University of Illinois, USA

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11:45-12:15 Langevin dynamics, parameterization, and Cucker-Smale flocking

Professor Ben Leimkuhler, University of Edinburgh, UK

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12:30-13:30

Lunch

13:30-17:00

Session 2

4 talks Show detail Hide detail

Chairs

Professor Raffaello Potestio, University of Trento, Italy

13:30-14:00 Unravelling the activation of neuroreceptors at the molecular level

Professor Carla Molteni, King's College London, UK

Abstract


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14:15-14:45 Multi-scale simulations of neuronal G-protein coupled receptors

Professor Paolo Carloni, Forschungszentrum Jülich, Germany

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15:30-16:00 Coupling molecular dynamics simulations with Brownian dynamics

Professor Radek Erban, University of Oxford, UK

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16:15-17:00 High-resolution coarse grained modeling of nucleic acids accounting for salt and pH environment

Professor Samuela Pasquali, University Paris Descartes, France

Abstract


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25 September

09:00-12:30

Session 3

4 talks Show detail Hide detail

Chairs

Dr Sarah Harris, University of Leeds, UK

09:00-09:30 Open boundary molecular dynamics simulations of DNA

Dr Julija Zavadlav, ETH Zurich, Switzerland

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09:45-10:15 Uniform vs. position-dependent coarse-graining: challenges and opportunities from variable resolution biomolecular modelling

Professor Raffaello Potestio, University of Trento, Italy

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10:30-11:00 Coffee Break

11:00-11:30 Optimising cancer treatment by combining small-molecule cytotoxic drugs and nanoparticles: An in-silico quantitative analysis

Dr Vasileios Vavourakis, University College London, UK

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11:45-12:15 Towards Simulating Eukaryotic Cells at Single Molecule Resolution

Professor Garegin Papoian, University of Maryland, USA

Abstract

Professor Garegin Papoian, University of Maryland

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12:30-13:30

Lunch day 2

13:30-17:00

Session 4

4 talks Show detail Hide detail

Chairs

Professor Radek Erban, University of Oxford, UK

13:30-14:00 Dimensionality reduction aides scale-bridging in multi-resolution simulations of conformational landscapes

Professor Christine Peter, University of Konstanz, Germany

Abstract


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14:15-14:45 Multiscale modelling of complex biomolecular systems

Dr Dmitry Nerukh, Aston University, UK

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15:00-15:30 Tea break

15:30-16:00 No equations, no variables, no parameters, no space, no time: data and the modelling of complex systems

Professor Yannis Kevrekidis, Princeton University, USA

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16:15-17:00 Overview, future directions and discussion

Dr Sarah Harris, University of Leeds, UK

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Multi-resolution simulations of intracellular processes

24 - 25 September 2018

Kavli Royal Society Centre, Chicheley Hall Newport Pagnell Buckinghamshire MK16 9JJ