PURPOSE

The goals of this workshop are :
•    to discuss in depth some recent models of protocells, to understand their features and, no less important, their limitations
•    to discuss how to assist in the experimental implementation of protocells
•    to stimulate future collaborations between different groups of theoreticians as well as with some experimental groups which are oriented towards and interested in the contribution that modelling may provide
•    to outline an agenda of key topics to be addressed in future modelling activities


Discussion topics

Besides the usual discussion after each talk, it is planned to host two sessions dedicated to debating problems which appear to be of particular importance at the present stage of protocell modelling including:

Requests to and from experimentalists
•    given that protocells are not yet there, which specific aspects (predictions) should be experimentally investigated at this stage based on our theoretical and computational investigations.
•    are high-level models (macro and/or meso) useful for experimentalists at this stage?
•    can qualitative “systemic” discoveries be useful for the experimental implementation?
•    specific aspects to be addressed, e.g. quantum calculations, phase diagrams (water, surfactants, oil), … ?

Relationships between different levels of modelling (micro-meso-macro)
•    are the hypothesis used for high level models coherent with those which are employed at the micro level?
•    is it possible/relevant to propose at this stage a classification of the different modelling hypotheses?

Role of stochastic and small number dynamics in understanding protocells
•    how relevant are noise-related phenomena?
•    continuous versus discrete modelling.

Relationship between replicator dynamics and protocell dynamics
•    which are the influences of the peculiar forms of replicator dynamics on the overall duplication process (rates, robustness, etc.)?  

Blue-sky questions
•    why is it so difficult to get a working protocell?
•    how can we include useful functionalities in protocells?
•    any role for quantum coherence in this field?
•    how can we imagine to bridge the bottom up and top down routes to minimal life? …


PROGRAM

Given the interaction-oriented nature of the workshop, talks are not organized into thematic sessions.  Talks and discussion are scheduled for 45 minutes; 30 minutes (max) for presentation and 15 minutes for questions and discussions.


Sunday march 18
9.30 - 9.45    Steen Rasmussen & Roberto Serra    Introduction to the workshop: aim, organization
9.45 – 10.15    Steen Rasmussen    Review of experimental and computational results from Los Alamos
10.15-11.00    Roberto Serra    Is synchronization generic?
11.00 – 11.30    Coffee break    
11.30 – 12.15    Anders Eriksson    A framework for simulating Combined lipid/template growth
synchronisation and template evolution
12.15 – 13.00    Mark Bedeau    The micelle effect
13.00 – 14.15    Lunch break    
14.15 -15.00    Pier Luigi Luisi    Self-reproduction of vesicles and matrix effect for the experimental modeling of minimal cells
15.00 -15.45    Fabio Mavelli    Bridging the gap between theoretical and experimental models of
proto-cell populations
15.45 – 16.15    Coffe break    
16.15 – 18.30    General discussion 1 or subgroups    

Monday march 19
9.30 – 10.15    Sanjay Jain    A model of self-organizing prebiotic autocatalytic sets and evolution of network complexity
10.15 – 11.00    Doron Lancet    Interaction networks in evolving protocell membranes
11.00 – 11.30    Coffee break    
11.30 – 12. 15    Harold Fellerman    DPD modelling of protocell life-cycle
12.15 – 13.00    Goran Goranovic    Protocells in microfluidic environment
13.00 – 14.15    Lunch break    
14.15 – 15.00    Timoteo Carletti    From chemical reaction to species in chemoton models
15.00 – 15.45    Arvydas Tamulis    Quantum Processes of Self Assembly,
Photosynthesis and Molecular Computing in Artificial Minimal Living Cells
15.45 – 16.15    Coffe break    
16.15 – 18.15    General discussion 2 or subgroups    
18.15 – 18.30    Closing and conclusions