To apply you will need the following documents (in word or pdf format):

• Support letter from your supervisor or a senior co-worker explaining why you should be selected for this course
• Research Abstract (limit: 250 words – you will be able to present and discuss your research during the course)

Once you have these ready, please complete the application process by midnight (BST) on Sunday 11 April. Incomplete applications will not be considered. All applicants will be informed of the status of their application (successful, waiting list, rejected) by Tuesday 27 April. If you have any questions regarding the application process, please contact Michelle Mendonca.

Tips for a good application

1) During the selection process we focus on:

• Do you have the pre-requisite knowledge?
• Will your research and research group benefit from what you learn in this course?

So, please pay special attention to the following 3 questions on the application form:

• Describe your research interests
• Describe how this course will benefit your own research
• Describe how this course will benefit the research of your group

2) You are asked to attach an abstract about the research that you are carrying out and that you will present during the winter school. If you do not have any results yet, you can write your abstract as a short introduction to the topic and a working plan.

This course is designed to ensure full-time participation with flexibility for time zones differences and childcare requirements. This can be discussed with the course coordinator prior to the course to formalise alternative arrangements. We are also organising a career session on Day 4 of the course featuring talks and networking opportunities with professionals from academia and industry.

Note: The programme is subject to minor changes

Time (CEST)	Topic	Format	Trainer
Introduction - Friday 4 June
13:00 - 13:20	Course introduction	Live	Marta Lloret Llinares and Alexandre Bonvin
13:20 - 13:40	BioExcel introduction	Live	Rossen Apostolov
13:40 - 15:30	Participant presentations (in blocks of 20 mins with breaks of 10 mins in between)	Live

Time (CEST)	Topic	Format	Trainer
Day 1 - Monday 7 June
09:00 - 09:40	Docking basics	Pre-recorded lecture 1	Alexandre Bonvin
09:50 - 10:30	Docking basics	Pre-recorded lecture 2	Alexandre Bonvin
10:30 - 10:55	Q&A	Live	Alexandre Bonvin
11:00 - 11:30	Virtual Coffee and Tea Break
11:30 - 13:30	Tutorial - HADDOCK	Live support	Alexandre Bonvin, Zuzana Jandova
13:30 - 14:30	Break
14:30 - 15:10	BioExcel building blocks (BioBB)	Pre-recorded lecture	Adam Hospital
15:20 - 16:00	Computational biomolecular simulation workflows using BioBB	Pre-recorded lecture	Adam Hospital
16:10 - 17:00	Course social event

Time (CEST)	Topic	Format	Trainer
Day 2 - Tuesday 8 June
09:00 - 09:40	Basis of molecular dynamics simulations	Pre-recorded lecture 1	Alessandra Villa
09:50 - 10:30	Basis of molecular dynamics simulations	Pre-recorded lecture 2	Alessandra Villa
10:30 - 10:55	Q&A	Live	Alessandra Villa
11:00 - 11:30	Virtual coffee & tea break
11:30 - 13:00	Tutorial - A guide to perform MD simulation with GROMACS	Live	Christian Blau, Alessandra Villa & Artem Zhmorov
13:00 - 14:00	Break
14:00 - 16:00	Tutorial - Protein-Complex MD Setup with Jupyter Notebooks and BioBB Includes Q&A for BioBB lectures	Live	Adam Hospital

Time (CEST)	Topic	Format	Trainer
Day 3 - Wednesday 9 June
09:00 - 09:40	Introduction to QM/MM	Pre-recorded lecture 1	Emiliano Ippoliti
09:50 - 10:30	Introduction to QM/MM	Pre-recorded lecture 2	Emiliano Ippoliti
10:30 - 10:55	Q&A	Live	Emiliano Ippoliti
11:00 - 11:30	Virtual coffee & tea break
11:30 - 13:30	Tutorial - Introduction to QM/MM simulations	Live	Dmitry Morozov
13:30 - 14:30	Break
14:30 - 14:50	Short talk #1	Pre-recorded lecture
14:50 - 15:10	Q&A	Live
15:20 - 17:00	Poster session

Time (CEST)	Topic	Format	Trainer
Day 4 - Thursday 10 June
09:00 - 09:40	Modeling molecular recognition through enhanced-sampling methods	Pre-recorded lecture 1	Attilio Vargiu
09:50 - 10:30	Modeling molecular recognition through enhanced-sampling methods	Pre-recorded lecture 2	Attilio Vargiu
10:30 - 10:55	Q&A	Live	Attilio Vargiu, Giuliano Malloci & Andrea Basciu
11:00 - 11:30	Virtual coffee & tea break
11:30 - 13:30	Metadynamics tutorial - Guided introduction	Work on your own with live support	Andrea Basciu, Giuliano Malloci & Attilio Vargiu
13:30 - 14:30	Break
14:30 - 15:30	Round table about career options	Live
15:40 - 17:00	Poster & networking session	Live

Time (CEST)	Topic	Format	Trainer
Day 5 - Friday 11 June
09:00 - 09:40	Introduction to free energy calculations	Pre-recorded lecture	Bert de Groot
09:50 - 10:30	Applications of alchemical free energy calculations	Pre-recorded lecture	Vytautas Gapsys
10:30 - 10:55	Q&A	Live	Bert de Groot & Vytautas Gapsys
11:00 - 11:30	Virtual coffee & tea break
11:30 - 13:30	Tutorial - PMX	Live	Bert de Groot & Vytautas Gapsys
13:30 - 14:30	Break
14:30 - 14:50	Short talk #2	Pre-recorded lecture
14:50 - 15:10	Short talk #3	Pre-recorded lecture
15:10 - 15:40	Q&A
15:40 - 16:10	Final questions, remarks and feedback	Live

The lectures and hands-on sessions will be given by internationally recognised leaders in the field of computational biomolecular research.

Speakers

• Alexandre Bonvin, BioExcel (University of Utrecht)
• Alessandra Villa, BioExcel (KTH)
• Christian Blau, BioExcel (KTH)
• Adam Hospital, BioExcel (IRB Barcelona)
• Emiliano Ippoliti, BioExcel (FZ Jülich)
• Bert de Groot, BioExcel (Max Planck Institute)
• Vytautas Gapsys, BioExcel (Max Planck Institute)
• Giuliano Malloci, University of Cagliari
• Attilio Vittorio Vargiu, University of Cagliari

Organisers

• Vera Matser, BioExcel (EMBL-EBI)
• Marta Lloret Llinares, BioExcel (EMBL-EBI)
• Alexandre Bonvin, BioExcel (University of Utrecht)
• Attilio Vittorio Vargiu, University of Cagliari
• Giuliano Malloci, University of Cagliari