AI3SD collaborated with RSC-CICAG (The Royal Society of Chemistry – Chemical Information and Computer Applications Group) to run an #AI4Proteins Seminar Series in 2021. This series started on Wednesday 14th April 2021, and was made up of a set of sessions of 1-2 talks, ending with an all day virtual conference on Thursday 17th June 2021.
Below is the timetable for the series, with links to individual Event and Eventbrite pages. This timetable is still in a draft form and further speakers will be added as details are confirmed. A majority of the talks in these events will be recorded and made available on the AI3SD YouTube Channel.
| Date | Talks | Speaker | Video Link | DOI Link | |
| 14/04/2021 |  | Machine learning for biological sequence design: Dr Lucy Colwell (University of Cambridge) |  | Video Link | DOI Link |
| 14/04/2021 |  | Machine learning applications for macro-molecular X-ray crystallography at Diamond: Dr Melanie Vollmar (Diamond) |  | Video Link | DOI Link |
| Date | Talks | Speaker | Video Link | DOI Link | |
| 05/05/2021 |  | The Application of Machine Learning in Molecular Spectroscopy Study: Professor Jun Jiang (University of Science and Technology of China) |  | Video Link | DOI Link |
| 05/05/2021 |  | Molecular Dynamics Simulations of Proteins: Professor Jonathan Essex (University of Southampton) |  | Not available | Not available |
| Date | Talks | Speaker | Video Link | DOI Link | |
| 26/05/2021 |  | Predicting Metalloproteomes by Machine Learning: Professor Chu Wang (Peking University) |  | Not available | Not available |
| 26/05/2021 |  | Multiscale simulation of biomolecular mechanisms and dynamics: from enzyme evolution to receptor activation: Professor Adrian J Mulholland (University of Bristol) |  | Video Link | DOI Link |
AI4Proteins: Protein Structure Prediction
| Date | Talks | Speaker | Video Link | DOI Link | |
| 16/06/2021 |  | An AI solution to the protein folding problem: what is it, how did it happen, and some implications: Professor John Moult (University of Maryland) |  | Not available | Not available |
| 16/06/2021 |  | So you predicted a protein structure – What now? Dr Thomas Steinbrecher (Schrödinger) |  | Video Link | DOI Link |
| 16/06/2021 |  | Deep Learning enhanced prediction of protein structure and dynamics: Dr Martina Audagnotto (AstraZeneca) |  | Video Link | DOI Link |
| 16/06/2021 |  | Fireflies-LĂ©vy Flights algorithm for peptides conformational optimization: Dr Zied Hosni (University of Sheffield) |  | Video Link | DOI Link |
| 16/06/2021 |  | How good are protein structure prediction methods at predicting folding pathways? Mr Carlos Outeiral Rubiera (University of Oxford) |  | Video Link | DOI Link |
| 16/06/2021 |  | Protein-Ligand Structure Prediction for GPCR Drug Design: Dr Chris De Graaf (Sosei Heptares) |  | Video Link | DOI Link |
| 16/06/2021 |  | Using icospherical input data in machine learning on the protein-binding problem: Dr Ella Gale (University of Bristol) |  | Video Link | DOI Link |
| 17/06/2021 |  | Lessons learned from generative models of biological sequences: Professor Aleksej Zelezniak (Chalmers University of Technology) |  | Video Link | DOI Link |
| 17/06/2021 |  | DeepDock: a deep learning approach to predict ligand binding conformations: Dr Oscar MĂ©ndez-Lucio (Janssen Pharmaceuticals) |  | Video Link | DOI Link |
| 17/06/2021 |  | Finding new in silico-based therapeutic strategies for IAHSP: Dr Matteo Rossi Sebastiano (University of Turin) |  | Video Link | DOI Link |
| 17/06/2021 |  | Designing molecular models by machine learning and experimental data: Professor Cecilia Clementi (Freie Universität Berlin) |  | Video Link | DOI Link |
| 17/06/2021 |  | The “almost druggable” genome: Professor Tudor Oprea (University of New Mexico) |  | Video Link | DOI Link |
| 17/06/2021 |  | General Effects of AI on Drug Discovery: Dr Derek Lowe (Novartis) |  | Video Link | DOI Link |
| 17/06/2021 |  | Open Access Data: A Cornerstone for Artificial Intelligence Approaches to Protein Structure Prediction: Professor Stephen Burley (RCSB PDB, Rutgers University, UCSD) |  | Video Link | DOI Link |
If you are interested in sponsoring our event series, please contact Dr Samantha Kanza. Sponsorship details can be found here. This event series has been generously sponsored by:
