No.142 Web Molecular Graphics: Emerging Technologies & Standards

Molecular Graphics (MG) unites computer graphics and software engineering and is widely used in scientific and commercial research. Recently, rapid developments are exploring the use of MG within web browsers, opening exciting new possibilities, such as large-scale collaboration. At the same time, advances in experimental methods now make available molecular structures of unprecedented size and complexity, giving new insights into the molecular machinery of life, but also requiring much increased computational performance, and sometimes the use of new display technologies. In response, the first Shonan seminar on Web-based Molecular Graphics was held in 2016, bringing together, for the first time ever, key international players in this newly emerging field. This meeting had a major impact in our field: we also settled on four topic areas as highest priority for the next steps in our nascent community: (1) Standards (de facto and emerging); (2) Big molecular data; (3) Emerging technologies (e.g., VR/AR, WebVR, HMDs); and (4) Community building. This will be our second meeting to explore these topic areas, with a group of experts spanning computer science, molecular graphics, and bioinformatics.

We will produce a visual summary of the meeting as introduced in the introductory video. See the visual summary of the first meeting as an example.

Twitter

We encourage you to use the Twitter hashtag #WMG18.

Slack

For collaborating during the meeting and beyond, we have set up a slack workspace. Invitations will come by email.

We have started a page that collects the lightning and keynote talks as well as breakout groups.

The password will be announced in the meeting.

Prof. Seán I. O’Donoghue is a Laboratory Head at the Garvan Institute of Medical Research, Chief Research Scientist in Australia’s CSIRO, and Conjoint Professor in UNSW Sydney. He has created numerous award-winning bioinformatics resources demonstrating the benefits of data visualization in the life sciences.

 

Prof. Masakazu Sekijima is an Associate Professor and Unit Leader at Advanced Computational Drug Discovery Unit of the Tokyo Institute of Technology. He carries out research in bioinformatics, mainly in the computer science field.

 

 

Dr Marc Baaden is Director of Research at CNRS and heads the UPR9080 research unit. He is internationally recognized for research characterizing membrane proteins via high-performance computing, comprising the development of novel bioinformatics methods and approaches offered to the scientific community.

 

 

Co-organizers

Dr Matthieu Chavant is a CNRS researcher at the IPBS institute in Toulouse. He has worked on GPU computing for modelling and visualization of huge molecular systems, and also NMR/multiscale modeling experiments to understand lipids and membrane protein interactions.

 

 

Dr J.B. Brown is a Junior Associate Professor at Kyoto University Graduate School of Medicine, and also an Independent Researcher in the Laboratory of Molecular Biosciences. He studies pharmacogenomics, life-science informatics, biological networks, machine learning, software and data visualization.

 

 

Dr Andrea Schafferhans is a Lecturer for Chemistry at the University of Applied Sciences Weihenstephan-Triesdorf and also an Independent Researcher in the Computational Biology group of Burkhard Rost at Technical University Munich. She strives to help non-experts to make use of protein structure data.

 

 

Dr. Marc Baaden	Laboratoire de Biochimie Théorique, France
Prof. J.B. Brown	Kyoto University Graduate School of Medicine, Japan
Dr. Matthieu Chavent	IPBS, CNRS, UK
Dr. Martin Falk	Linköping University, Sweden
Prof. Bob Hanson	St. Olaf College, USA
Dr. Barbora  Kozilkova	Masaryk University, Czech Republic
Prof. Michael Krone	University of Tübingen, Germany
Dr. Peter Mindek	TU Vienna, Austria
Prof. Sean O’Donoghue	CSIRO, Garvan Institute of Medical Research, UNSW, Australia
Dr. Alexander S. Rose	UCSD, RCSB, USA
Dr. Andrea Schafferhans	Hochschule Weihenstephan-Triesdorf, Germany
Dr. David Sehnal	PDBe CEITEC, Czech Republic
Prof. Masakazu Sekijima	Tokyo Institute of Technology, Japan
Dr. Ian Silitoe	University College London, UK
Ms. Radka Varekova	Masaryk University, Czech Republic
Dr. Sameer Velanker	EMBL-EBI, UK
Prof. Ivan Viola	TU Vienna, Austria
Dr. Monica Zoppè	Institute of Clinical Physiology, CNR, Italy

Topics for Breakout Sessions

Topics for the breakout sessions can be suggested in this form
and viewed this spreadsheet.

Sunday, December 2nd, 2018

15:00 – : Check-in

19:00 – 20:00 : Welcome banquet

20:00 – : Free time

Monday, December 3rd, 2018

07:30 – 08:30 : Breakfast

08:30 – 09:00 : Intro (NII Shonan Meeting Introduction) & lightning talks

09:00 – 09:30 : Plenary (O’Donoghue)

09:30 – 10:00 : Breakout topic planning

10:00 – 10:30 : Coffee break

10:30 – 12:00 : Breakout session 1

12:00 – 13:00 : Lunch

13:00 – 13:30 : Group photo

13:30 – 15:00 : Breakout session 1 (continued)

15:00 – 15:30 : Coffee break

15:30 – 16:30 : Breakout check-ins

16:30 – 17:00 : Plenary (Brown)

17:00 – 18:00 : Free time

18:00 – 20:00 : Dinner

20:00 – : Free time

Tuesday, December 4th, 2018

07:30 – 08:30 : Breakfast

08:30 – 09:00 : Plenary talk (Kozikova)

09:00 – 09:30 : Plenary (Viola)

09:30 – 10:00 : Plenary (Rose/Sehnal)

10:00 – 10:30 : Coffee break

10:30 – 12:00 : Breakout session 2

12:00 – 13:30 : Lunch

13:30 – 15:00 : Breakout session 2 (continued)

15:00 – 15:30 : Coffee break

15:30 – 16:30 : Breakout check-ins

16:30 – 17:00 : Plenary (Zoppe)

17:00 – 18:00 : Free time

18:00 – 20:00 : Dinner

20:00 – : Free time

Wednesday, December 5th, 2018

07:30 – 08:30 : Breakfast

08:30 – 09:00 : Plenary talk (Industry)

09:00 – 09:30 : Plenary (Chavent)

09:30 – 10:00 : Plenary (Krone)

10:00 – 10:30 : Coffee break

10:30 – 12:00 : Breakout session 3

12:00 – 13:30 : Lunch

13:30 – 18:00 : Excursion

18:00 – 20:30 : Main banquet

Thursday, December 6th, 2018

07:30 – 08:30 : Breakfast

08:30 – 10:00: Breakout session 3 (continued)

10:00 – 10:30 : Coffee break

10:30 – 11:30 : Breakout check-ins

11:30 – 12:00 : Round up

12:00 – 01:30 : Lunch

 

 

Bus time table for getting to the station