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.

AI4Proteins: I

DateTalksSpeakerVideo LinkDOI Link
14/04/2021
Machine learning for biological sequence design:
Dr Lucy Colwell (University of Cambridge)
Video LinkDOI Link
14/04/2021
Machine learning applications for macro-molecular X-ray crystallography at Diamond:
Dr Melanie Vollmar (Diamond)
Video LinkDOI Link

AI4Proteins: II

DateTalksSpeakerVideo LinkDOI Link
05/05/2021The Application of Machine Learning in Molecular Spectroscopy Study:
Professor Jun Jiang (University of Science and Technology of China)
Not availableDOI Link
05/05/2021Molecular Dynamics Simulations of Proteins:
Professor Jonathan Essex (University of Southampton)
Not availableNot available

AI4Proteins: III

DateTalksSpeakerVideo LinkDOI Link
26/05/2021Predicting Metalloproteomes by Machine Learning:
Professor Chu Wang (Peking University)
Not availableNot available
26/05/2021Multiscale simulation of biomolecular mechanisms and dynamics: from enzyme evolution to receptor activation:
Professor Adrian J Mulholland (University of Bristol)
Video LinkComing Soon

AI4Proteins: Protein Structure Prediction

DateTalksSpeakerVideo LinkDOI Link
16/06/2021An AI solution to the protein folding problem: what is it, how did it happen, and some implications:
Professor John Moult (University of Maryland)
Not availableNot available
16/06/2021So you predicted a protein structure – What now?
Dr Thomas Steinbrecher (Schrödinger)
Video LinkDOI Link
16/06/2021Deep Learning enhanced prediction of protein structure and dynamics:
Dr Martina Audagnotto (AstraZeneca)
Video LinkDOI Link
16/06/2021Fireflies-Lévy Flights algorithm for peptides conformational optimization:
Dr Zied Hosni (University of Sheffield)
Video LinkDOI Link
16/06/2021How good are protein structure prediction methods at predicting folding pathways?
Mr Carlos Outeiral Rubiera (University of Oxford)
Video LinkDOI Link
16/06/2021Protein-Ligand Structure Prediction for GPCR Drug Design:
Dr Chris De Graaf (Sosei Heptares)
Video LinkDOI Link
16/06/2021Using icospherical input data in machine learning on the protein-binding problem:
Dr Ella Gale (University of Bristol)
Video LinkDOI Link
17/06/2021Lessons learned from generative models of biological sequences:
Professor Aleksej Zelezniak (Chalmers University of Technology)
Video LinkDOI Link
17/06/2021DeepDock: a deep learning approach to predict ligand binding conformations:
Dr Oscar Méndez-Lucio (Janssen Pharmaceuticals)
Video LinkDOI Link
17/06/2021Finding new in silico-based therapeutic strategies for IAHSP:
Dr Matteo Rossi Sebastiano (University of Turin)
Video LinkDOI Link
17/06/2021Designing molecular models by machine learning and experimental data:
Professor Cecilia Clementi (Freie Universität Berlin)
Video LinkDOI Link
17/06/2021The “almost druggable” genome:
Professor Tudor Oprea (University of New Mexico)
Video LinkDOI Link
17/06/2021General Effects of AI on Drug Discovery:
Dr Derek Lowe (Novartis)
Video LinkDOI Link
17/06/2021Open Access Data: A Cornerstone for Artificial Intelligence Approaches to Protein Structure Prediction:
Professor Stephen Burley (RCSB PDB, Rutgers University, UCSD)
Video LinkDOI 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: