Registration for the 3rd BioExcel Conference on Advances in Biomolecular Simulations is now open!
Date: 27 – 30 September 2026
Venue: Brno, Czech Republic
Important dates:
19 January 2026: Registration & call for Abstracts opens
31 May 2026: Oral presentation Abstract submission closes
31 May 2026: Early bird registration closes
22 June 2026: Notification of selected oral presentations
31 August 2026: Registration closes (payment and poster deadline)
Following the success of the 1st and 2nd BioExcel conferences on Advances in Biomolecular Simulations, we are pleased to announce our 3rd edition of this popular event. The event will gather the biomolecular research community to explore the latest trends, updates and challenges in the fields of integrative modelling, free energy and drug design, workflows, automation and data integration. Check out the video to get a feel for what the conference has to offer:
Code of conduct: The conference will follow the BioExcel Code of Conduct to provide a harassment-free experience for everyone, regardless of gender, gender identity and expression, sexual orientation, disability, physical appearance, body size, race, age, religion, or nationality.
Programme:
| Start | End | Duration | Speaker | Opening session | Chair(s) |
|---|---|---|---|---|---|
| 16:00 | 17:15 | 01:15 | Registration | ||
| 17:15 | 17:30 | 00:15 | tbd | Opening remarks | |
| 17:30 | 18:30 | 01:00 | Helmut Grubmüller | Opening Keynote: Proteins: Wet and dry, hot and cold, structured and messy, atomistic and Markov | tbd |
| 18:30 | 21:00 | 02:30 | Welcome Reception: Hotel International, Siesta lobby bar |
| Start | End | Duration | Speaker | Molecular Dynamics session | Chair(s) |
|---|---|---|---|---|---|
| 08:50 | 09:00 | 00:10 | Morning welcome | tbd | |
| 09:00 | 09:45 | 00:45 | Modesto Orozco | Invited lecture: Navigating on Nucleic Acids’ structural, dynamics and biological spaces | |
| 09:45 | 10:10 | 00:25 | Noora Aho | Selected Talk: Investigating long-chain free fatty acid protonation in membranes using molecular dynamics simulations | |
| 10:10 | 10:45 | 00:35 | Coffee break | ||
| 10:45 | 11:30 | 00:45 | Ilpo Vattulainen | Invited lecture: A large family that delivers mail: How do GPCRs get activated? | |
| 11:30 | 11:55 | 00:25 | Samuel Murail | Selected Talk: SST2: A Practical Single Trajectory Enhanced Sampling Method for Protein Folding and Peptide-Protein Binding Simulations | |
| 11:55 | 12:20 | 00:25 | Tatu Pantsar | Selected Talk: Uncovering the Hidden Complexity of RAS through Molecular Dynamics Simulations | |
| 12:20 | 13:45 | 01:25 | Lunch (1h) & Group photo | ||
| Start | End | Duration | Speaker | Integrative Modelling session | Chair(s) |
| 13:45 | 14:30 | 00:45 | Alexandre Bonvin | Invited lecture: Solving 3D puzzles of biomolecular interactions by physics- and AI-based integrative modelling | tbd |
| 14:30 | 14:55 | 00:25 | Jana Pavlikova Precechtelova | Selected Talk: How Phosphorylation Weakens Tau–BIN1 Binding | |
| 14:55 | 15:30 | 00:35 | Coffee break | ||
| 15:30 | 16:15 | 00:45 | Ezgi Karaca | Invited lecture: Predicting and profiling biomolecular complexes in the age of AI | |
| 16:15 | 16:40 | 00:25 | Hao-Ting Chang | Selected Talk: SAXS-guided ensemble analysis reveals IDR-linked auto-inhibitory states of HMGB2 | |
| 16:40 | 17:05 | 00:25 | Lars Bock | Selected Talk: Molecular mechanisms of ribosome stalling by nascent peptides | |
| 17:05 | 17:30 | 00:25 | Argha Mitra | Selected Talk: Decoding pioneer Transcription Factor-Mediated Nucleosomal conformational transition | |
| 17:30 | 19:00 | 01:30 | Poster session I (odd numbers), drinks & nibbles |
| Start | End | Duration | Speaker | Free Energy calculations session | Chair(s) |
|---|---|---|---|---|---|
| 08:50 | 09:00 | 00:10 | Morning welcome | tbd | |
| 09:00 | 09:45 | 00:45 | Zoe Cournia | Invited lecture: tba | |
| 09:45 | 10:10 | 00:25 | Gordan Horvat | Selected Talk: Thermodynamic Stability of Anion Complexes with Small Cyclopeptides | |
| 10:10 | 10:45 | 00:35 | Coffee break | ||
| 10:45 | 11:30 | 00:45 | Vytautas Gapsys | Invited lecture: tba | |
| 11:30 | 11:55 | 00:25 | Freddie Martin | Selected Talk: Accelerating Biologics Design with State-of-the-Art In Silico Modeling and Protein FEP | |
| 11:55 | 12:20 | 00:25 | Zengyue Zhang | Selected Talk: Assessing and Optimizing Free Energy Perturbation for DNA/RNA-compound Binding | |
| 12:20 | 13:45 | 01:25 | Lunch (1h) | ||
| Start | End | Duration | Speaker | Developments in molecular simulations session | Chair(s) |
| 13:45 | 14:30 | 00:45 | Gerrit Groenhof | Invited lecture: tba | tbd |
| 14:30 | 14:55 | 00:25 | Maisa Vuorte | Selected Talk: One Groove to Rule Them All? Probing Scramblase Selectivity via High-Throughput CG-MD Simulations | |
| 14:55 | 15:30 | 00:35 | Coffee break | ||
| 15:30 | 16:15 | 00:45 | Marc Baaden | Invited lecture: Taking molecular simulations into Cyberspace: from computation to immersive discovery | |
| 16:15 | 16:40 | 00:25 | Mathieu Linares | Selected Talk: VIAMD: Visual Interactive Analysis of Molecular Dynamics | |
| 16:40 | 17:05 | 00:25 | Andrea Grazzi | Selected Talk: A Multiscale Funnel Metadynamics Framework for Protein–Ligand Binding Free Energy Landscapes | |
| 17:05 | 17:30 | 00:25 | Dimitry Morozov | Selected Talk: Advancing biomolecular simulations in GROMACS with Python-based QM and ML packages integration | |
| 17:30 | 19:00 | 01:30 | Poster session II (even numbers), drinks & nibbles |
| Start | End | Duration | Speaker | AI & Drug Design applications session | Chair(s) |
|---|---|---|---|---|---|
| 08:50 | 09:00 | 00:10 | Morning welcome | tbd | |
| 09:00 | 09:45 | 00:45 | Roberto Covino | Invited lecture: tba | |
| 09:45 | 10:10 | 00:25 | Lisa Schmidt | Selected Talk: Integrated MD, Free-Energy and ML Approach for Protein Fold-Switch Analysis and Design | |
| 10:10 | 10:45 | 00:35 | Coffee break | ||
| 10:45 | 11:30 | 00:45 | Silvia Osuna | Invited lecture: Reprogramming allosteric networks for rational enzyme design | |
| 11:30 | 11:55 | 00:25 | Jan-Oliver Kapp-Joswig | Selected Talk: Physics-based prediction of ternary complexes for PROTAC and molecular glue design | |
| 11:55 | 12:20 | 00:25 | Victor Reys | Selected Talk: Structural modelling and binding affinity prediction of the Human PDZ-PBM interactome | |
| 12:20 | 13:45 | 01:25 | Lunch (1h) | ||
| Start | End | Duration | Speaker | TBA | Chair(s) |
| 13:45 | 14:30 | 00:45 | Ville Kaila | Invited lecture: tba | tbd |
| 14:30 | 14:55 | 00:25 | Robert Vacha | Selected Talk: Translocation of Amphiphilic Peptides Across Cell Membranes | |
| 14:55 | 15:20 | 00:25 | Anjana Vadakke Mathath | Selected Talk: Designing a Reaction Coordinate for Umbrella Sampling to Compute Free Energy Profiles of Cell-penetrating Peptides Translocation across Lipid Membranes | |
| 15:20 | 16:05 | 00:45 | Philip Biggin | Invited lecture: Emergent Mechanisms of Proton-Coupled Transport from Molecular Simulations: From Microscopic to Macroscopic | |
| 16:05 | 17:30 | 01:25 | Poster session III (all posters), voting for best poster (including coffee break) | ||
| 17:30 | 18:30 | 01:00 | Move to Observatory | ||
| 18:30 | 19:30 | 01:00 | Richard Bonneau | Closing keynote: tba | |
| 19:30 | 19:45 | 00:15 | Closing remarks & Poster prize | ||
| 19:45 | 00:00 | 00:15 | Social dinner at Observatory |
- Registration & call for Abstracts opens: 19 January 2026
- Oral presentation Abstract submission closes: 1 May 2026
- Early bird registration closes: 31 May 2026
- Notification of selected oral presentations: 22 June 2026
- Registration closes: 31 August 2026
Registration fees (inc. 21% VAT):
- Students & Post-Docs (early bird): EUR 360
- Students & Post-Docs (full): EUR 440
- Academic (early bird): EUR 530
- Academic (full): EUR 600
- Industry: EUR 990
Registration includes:
- Access to all talks
- Poster sessions
- Networking
- Lunches
- Coffee breaks
- Light refreshments during the poster session
- Conference dinner
Registration
Registration will open on 19 January 2026
Abstract submission guidelines:
Abstract submission will open on 19 January 2026
All registered attendees are strongly encouraged to submit an abstract. When submitting an abstract select the topic under which it fits best and indicate if you would like to be considered for an oral presentation:
- Multiscale modelling
- Molecular Dynamics
- Free energy calculations
- Integrative modelling
- Drug design
- AI
All abstracts are automatically approved to be presented as a poster upon submission and do not require further approval from conference organisers. Please note poster abstracts with inappropriate content or commercial advertisement will be disqualified. The deadline for poster abstract submission is 31 August 2026.
Abstracts should be submitted via the abstract submission link. Abstracts should include information on project background, methodology, results, and conclusion. If results are not obtained yet, indicate what results can be expected.
Oral presentation guidelines:
- Slides for your talk will be projected on a screen in the 16:9 format.
- The recommended format is pptx, ppt or PDF.
- Slides should be uploaded to the conference computer before the session and the local technician will help with this.
- Presenters can bring their own computers, although this is not recommended to ensure timekeeping and the smooth running of the event.
- Presenters who choose to bring their own laptop should inform the organisers in advance and are encouraged to bring their own HDMI adapter.
- Slide tests can be done one hour before the morning session or during the breaks.
Poster presentation guidelines:
- Please ensure your poster is in PORTRAIT orientation.
- Posters should fit within a 96cm wide and 110cm heigh (37″ x 44″) space, or A0 paper size format.
- Use good contrast and readable font size.
- Keep content clear, simple and describe pictures, graphs, etc.
- Avoid large blocks of heavy text, align text to the left and keep a consistent layout.
- Supplies for hanging posters are provided during the poster sessions.
- Poster presenters must bring a printed poster to the conference; there will be no opportunity to print posters at the conference or for the organizers to print your poster.
- If you do not want to travel with a poster, Copy General and Planotisk are a couple of companies in Brno that will print posters. Check with them regarding timelines to ensure your poster is printed in time for the conference.
- The full list of posters will be available after 31st August (poster submission deadline).
- Poster presentation sessions (see Programme):
- Day 2 – Monday 28th September (odd numbers)
- Day 3 – Tuesday 29th September (even numbers)
A full list of oral presentations selected from the submitted abstracts will be included in the Programme.
The Czech Republic has its own currency, the Czech crown (CZK), with the exchange rate of 1EUR to about 25CZK. Many places accept payments by card and there are many cash exchange points in the city center that offer exchanges of most currencies at good rates.
About Brno:
Brno is a captivating, mid-size city in the heart of Europe, offering a blend of the old and the new. The city’s historic center boasts dazzling medieval and Baroque buildings, including the iconic Špilberk Castle and the stunning Cathedral of St. Peter and Paul.
Brno is also a hub of education and innovation contributing to its dynamic and forward-thinking atmosphere. With a thriving arts scene, lively cafes, and a deep connection to Czech history, Brno is a city that seamlessly marries tradition with modernity. The Brno Convention Bureau provides information on what to do in and around Brno and the Brnopas helps you get around.
Conference venue:
Hotel International Brno, Husova 16, 602 00 Brno, Czech Republic
Hotel International Brno is a luxury four-star hotel situated beneath Špilberk Castle. It is less than 100 metres from náměstí Svobody (Freedom Square), and is tastefully situated to one side of the historic centre. This important functionalist building from 1962 has been entered onto the list of cultural monuments, and was influenced by pre-war Bauhaus architecture and partly by the Brazilian architect Oscar Niemeyer.
Dinner:
The conference dinner will be held at the Brno Observatory and Planetarium
Accommodation for the conference: We recommend the following hotels in Brno. Room availability is limited so we recommend that you reserve your room as soon as possible.
- Hotel International (Conference venue)
Single Business room: 125 EUR/night inc. VAT and buffet breakfast.
Double Business room: 145 EUR/night inc. VAT and buffet breakfast.
Reservations:
e-mail: reservation@hotelinternational.cz, tel.: +420 542 122 811
password: Bioexcel
- Hotel Continental (7 min walk from Conference venue)
Single Superior room: 100 EUR/night inc. VAT and breakfast.
Double Superior room: 108 EUR/night inc. VAT and breakfast.
Reservations:
Jana Viktorová (Mon-Fri, 08:00-17:00), e-mail: viktorova@continentalbrno.cz, tel.: +420 541 519 609
Kateřina Gargulová (Mon-Fri, 08:00-17:00), e-mail: info@continentalbrno.cz, tel.: +420 541 519 516
Reception (24/7), e-mail: recepce@continentalbrno.cz, tel.: +420 541 519 111
Getting to Brno:
By air
Most attendees are recommended to use Vienna Airport (VIE) or Prague Airport (PRG) (further than Vienna). Alternatively, International Airport Brno-Tuřany, provides flights to Stansted (London) and Milan with Ryanair. Brno airport is located 12km/20 minutes from the city center and you can easily take a taxi or the express bus running every 30 minutes, which is located outside the entrance to the airport terminal (more below).
By bus or train
From Vienna airport you can take a bus, operated by Student Agency, offering 8 connections daily from Vienna to Brno from 13 EUR one way. Duration of the travel is approximately 2,5 hours. Train tickets are available for purchase online.
From the Prague airport you can take a bus, operated by Student Agency, offering 36 connections daily from 8 EUR one way. Duration of the travel is approximately 2,5 hours. Tickets are available online.
From Vienna and Prague, we also recommend the RailJet trains operated by RegioJet or České Dráhy. Tickets for trains from most surrounding countries are available directly via the railway companies České Dráhy, OEBB or Deutsche Bahn.
By car
Brno is located on the main Czech highway D1 and D2. For highways and some bigger roads it is necessary to have a highway sticker, which is available for purchase online or at the border crossing, petrol stations, or post offices.
Please verify whether your hotel or accommodation also provides parking, as there is no free parking around the center and parking spots on the streets are very limited. If you plan to bring your car, please read the parking related information provided by the city of Brno. The closest paid and guarded parking within the proximity of the center is at Janačkovo divadlo and about 5 minutes walking distance.
By taxi
Private airport transport is available from Brno Transport with a cost of about 130 EUR from either Prague or Vienna. The transport can be booked directly on the company website. If you will be arriving to Brno without a working cell service, it is a good idea to save an offline map of the city on your phone before the trip to ease navigation. Uber, Bolt and Liftago operate in Brno (mobile application needed).
General enquires: info@bioexcel.eu
Local organisers: info@scientifika.eu
