Dear Colleagues, The next event in the Industry Talk Series will take place online 13 April 2022 at 3pm (British Summer Time). The title is "Adopting a collaborative mindset in industrial drug discovery in the AI era" and the speakers are Ewa Chudyk and Meir Glick from Vertex Pharmaceuticals, see abstract below.
The registration deadline is 11 April 2022. The registration link and all details can be found at https://www.ccpbiosim.ac.uk/collaboration22. Best wishes, Sarah Abstract: The discovery of a new drug is a complex and expensive process, involving the collaboration of many interdisciplinary teams of scientists. Along the way, computational chemists can contribute to and accelerate the decision-making process by assessing available data with relevant analysis methods. At various stages of the process, this usually involves partnering with medicinal chemists, DMPK scientists, biologists, toxicologists, and formulation scientists, amongst others. Applying “predict first” solutions involves reaching for both traditional computational chemistry tools as well as novel AI-based methods when working as part of these interdisciplinary teams to identify opportunities of the highest potential impact on the project. Appropriate models are then applied for given hypotheses and assessed after experiments are performed. In this talk, we will give a general overview of the Vertex Pharmaceuticals drug discovery approach. We will also provide a computational chemist’s perspective based on our own experience in the industry. This will include diverse examples of computational methods used depending on the project’s needs. These consist of mining large datasets, building machine learning-based predictive models, docking virtual compound databases, including quantum chemistry calculations in chemical synthesis planning, running molecular simulations of large protein complexes, or using deep learning models for cell segmentation image recognition, amongst others. We will also share practical considerations of working in the industry, such as project timescales or partnering with interdisciplinary experimental teams. Finally, we will discuss the impact of collaboration, both within the industry and with academia to seek innovative solutions to complex problems. This email and any attachments are intended solely for the use of the named recipients. If you are not the intended recipient you must not use, disclose, copy or distribute this email or any of its attachments and should notify the sender immediately and delete this email from your system. UK Research and Innovation (UKRI) has taken every reasonable precaution to minimise risk of this email or any attachments containing viruses or malware but the recipient should carry out its own virus and malware checks before opening the attachments. UKRI does not accept any liability for any losses or damages which the recipient may sustain due to presence of any viruses. ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
