[ccp4bb] CCPBioSim Industry talk - MDAnalysis 19 June

Hi all, Our next online Industry Talk is by Richard Gowers, a core developer of MDAnalysis. The talk will take place on Wednesday 19 June 2024 at 2pm UK time. Free registration can be found at https://www.ccpbiosim.ac.uk/mda-talk2024. Title: MDAnalysis and Alchemical Simulations Abstract:

[ccp4bb] CCPBioSim Industry Talks - 29 May and 19 June

Hi all, I want to remind you about our next industry talk by Brannon Batson a hardware design engineer at D. E. Shaw Research. The talk "Using specialized hardware pipelines to massively accelerate molecular dynamics simulations in Anton 3" is online Wednesday 29 May 2024, 15:00 UK time. Free

[ccp4bb] CCPBioSim Industry Talk - D E Shaw 29 May

Dear all, This online talk is by Brannon Batson who is a hardware design engineer at D. E. Shaw Research. The talk takes place on Wednesday 29 May 2024 at 15:00 UK time. To register visit https://www.ccpbiosim.ac.uk/deshaw2024. Title: Using specialized hardware pipelines to massively

[ccp4bb] CCPBioSim Industry Talk - Schrodinger 17 April 2024

Hi all, Free registration is open for our upcoming online Industry Talk by Márton Vass from Schrödinger at 14:00 British Summer Time on 17 April 2024. Details and registration link can be found at https://www.ccpbiosim.ac.uk/schrodinger2024. Title: Structure-based target enablement with IFD-MD

[ccp4bb] CCPBioSim Industry Talk - Sosei Heptares - 27 March 2024

Dear all, Our next online industry talk is by Brian Bender of Sosei Heptares on 27 March 2024 at 14:00 UK time. Registration is free but required. Details and registration can be found at https://www.ccpbiosim.ac.uk/soseiheptares2024. Title: "Applications of AlphaFold and Generative Molecular

[ccp4bb] CCPBioSim Talk - NAMD

Dear all, Our next online talk will be all about NAMD. The talk is at 15:00 UK time on 28 February 2024 given by David Hardy (NAMD developer). Information and the link for free registration is at https://www.ccpbiosim.ac.uk/namd2024. Best wishes, Sarah

[ccp4bb] CCPBioSim Industry Talk - Kuano AI

Dear all, Happy New Year! Our first Industry Talk of 2024 will be at 2pm UK time on 24 January by David Wright of KuanoAI. Details and free registration can be found at https://www.ccpbiosim.ac.uk/kuano2024. Title: Quantum Leaps in Drug Discovery: The Journey of Our Startup Speaker: David

[ccp4bb] CCPBioSim Industry Talk - 29 November 2023

Hi All, The next Industry Talk will be "Hydrogen bond donor-acceptor asymmetries in drug design" given by Peter Kenny (retired) on 29 November 2023 at 2 pm UK time. Details and free registration link can be found at https://www.ccpbiosim.ac.uk/hydrogenbond2023. Abstract: The presentation will

[ccp4bb] CCPBioSim and CCP-QC Industry Talk

Hi all, This upcoming Industry Talk is co-sponsored by CCPBioSim and CCP-QC. The speaker is Sabrina Maniscalo from Algorithmiq. The talk will take place online via Zoom on Thursday 19 October 2023, at 15:00 - 16:30 UK time. Registration is free and can be found at

[ccp4bb] CCPBioSim Industry Talk Atommap

Hi all, Our next online industry talk will be given by Huafeng Xu of Atommap (see title and abstract below) on Wednesday 26 July 2023 at 3:30 pm UK time. Registration is free, but required to get the Zoom link. Details and link to registration can be found at

[ccp4bb] CCPBioSim Industry Talk - online

Hi all, Our next industry talk is coming up soon - Wednesday 28 June 2023 at 2pm UK time. This online talk by Antonija Kuzmanic from Schrodinger will cover protein-ligand structures and drug design along with her experiences developing a career in industry. Please visit

[ccp4bb] CCPBioSim Industry Talk - Rescheduled

Dear all, The Industry Talk has been rescheduled, it will now be on Wednesday 26 April 2023 at 3 pm UK time. If you had already registered, your registration will still be valid for the new date. The speaker is Alexander D. MacKerell and the title is "Introduction to Site Identification by

[ccp4bb] CCPBioSim Industry Talk

Dear all, We are pleased to announce another Industry Talk. This talk will be on Wednesday 19 April 2023 at 3 pm UK time. The speaker is Alexander D. MacKerell and the title is "Introduction to Site Identification by Ligand Competitive Saturation (SILCS) and its Application in Drug Design and

[ccp4bb] CCPBioSim Industry Talk

Dear all, We are very excited to be hosting Julien Michel for his Industry Talk presentation on the 8th March 2023 at 2pm: "Promoting open collaboration in computer-aided drug design with the OpenBioSim Community Interest Company". You can register for the seminar below:

[ccp4bb] CCPBioSim Industry Talk

Hi all, Registration is now open for our next Industry Talk. It will take place on Thursday 20 October 2022 from 2pm UK time. It will be on Zoom and registration is free but required to get the webinar link. The speakers are Alex R. Jones and Amy E. Danson from the National Physical Laboratory

[ccp4bb] CCPBioSim Industry Talk

Dear all, Our next industry talk is on Wednesday 28 September 2022 at 2pm UK time. The speaker is John Liebeschuetz from Astex and his talk is "Do proteins ever strain drug-like ligands?" Details and registration at https://www.ccpbiosim.ac.uk/astex2022. If you had registered for the talk in

[ccp4bb] CCPBioSim Training Week

Hi all, We are pleased to announce that applications are now open (until 15 August) for the CCPBioSim Training Week. The training will take place 19-23 September 2022 as a hybrid event in Leeds (UK) and online. The target audience is Masters and PhD students, but everyone is welcome to apply

[ccp4bb] CCPBioSim Industry Talk

Dear all, Registration is open for our Industry Talk titled "Championing the adoption of predictive sciences into the pharmaceutical discovery, process, and development space" by Ed Sherer from Merck. The talk will take place on Zoom (you will get the link after you register) Thursday 7 July

[ccp4bb] CCPBioSim Industry Talk

Dear all, Our next online Industry Talk will be on Thursday 30 June 2022 at 2pm UK time. The speaker is John Liebeschuetz from Astex and the title is "Do proteins ever strain drug-like ligands?". Details and the registration link can be found at

[ccp4bb] CCPBioSim Industry Talk

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,

[ccp4bb] BBSRC/MRC Taskforce - computing for bioscience research

Dear Collegue, If you are a UK bioscientist who either currently uses or is interested in the potential of computation for your research – we need your advice! Survey is live now, and an initial online biomolecular and biophysical simulation event will be held soon The BBSRC and MRC are

[ccp4bb] Exascale and ExCALIBUR Webinar

Dear CCPBioSim and Bioscience colleagues, CCPBioSim are very excited to be hosting the online seminar “ExCALIBUR Programme: Progress and Upcoming Calls” by Elizabeth Bent from EPSRC and "UK Exascale Supercomputer Project: Plans and Opportunities" Mark Parsons from EPCC. The seminar will take

[ccp4bb] CCPBioSim Industry Talk: Final reminder

Hi everyone, I would like to remind you that the registration deadline for the next industry talk is 24 November (Wednesday). The talk is "Scientific hypothesis-building through visualisation using the example of a newly observed phenomenon in COVID-19 patients" by Anncharlott V. BERGLAR from

[ccp4bb] CCPBioSim Industry Talk

Dear all, Registration is now open for our next industry talk, details and the registration link can be found at www.ccpbiosim.ac.uk/scivislab21. The talk will take place at 2pm GMT on Friday 26 November 2021 (registration deadline 24 November).

[ccp4bb] CCPBioSim Industry Talk

Dear all, We are pleased to announce that our next industrial speaker will be Nicolas Foloppe from Vernalis. The talk will be on 26 August 2021 at 2pm British time (registration is free but required by 24 August 2021). Details and registration can be found at

[ccp4bb] CCPBioSim Industry Seminar 2 June 2021

Dear all, Our next industry seminar is on 2 June 2021 at 15:00 BST (registration deadline Monday 31 May 2021). Please join us to hear Silvia Lovera from UBC BioPharma talking about adaptive sampling for molecular dynamics and applications to drug binding. All the details and the free