Announcements, Conferences, MGMS Lecture Tour, News

MGMS Lecture Tour: November 24, 2020

We are pleased to announce that Prof. Rebecca Wade from Heidelberg Institute for Theoretical Studies (HITS) and Heidelberg University, Germany will be giving a virtual MGMS Lecture Tour lecture titled, “Computational Approaches to Protein Dynamics and Binding Kinetics for Drug Discovery”, and it will be held via Zoom on:

Tuesday, November 24th, 2020

  • 2:00 pm GMT:  Lecture: “Computational Approaches to Protein Dynamics and Binding Kinetics for Drug Discovery”
  • 2:45 pm GMT: Q&A
  • 3:00 pm GMT: MGMS Annual General Meeting (AGM)

 

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Andy Vinter

Dear all,

It is with great sadness that I am writing to let you know that Andy Vinter passed away yesterday following a heart attack at the end of last week.  He was a font of knowledge and a highly respected scientist.  He had a long history of involvement with the MGMS: He was the founder member of the Society when it was set up in 1981 and served as the first Chairman and remained on the Committee for several years following.  He had many decades of experience in the pharmaceutical industry working in various organizations over the years including Beechams, Ciba, Maybridge, Wellcome and SmithKline and French.  He was a visiting Professor at University College London and was a Fellow of the Royal Society of Chemistry.

Throughout Andy’s career, he maintained a strong interest in both molecular recognition and molecular similarity, with a particular focus on how insights could be applied in the drug design area. His interest in electrostatics led to the development of XEDs, an improved empirical approach to representing the molecular electrostatic potentials and how they influenced interactions such as pi stacking. This, in turn, led to the development of novel field based technologies, targeted at viewing molecules in the way that they would be seen by their protein, or other macromolecular, binding sites. With support from the Wellcome Trust, Cresset Biomolecular Discovery was established in 2001 as a vehicle for further development and commercialisation of the software and intellectual property.  As scientific founder, and Chief Scientific Officer, he continued his active involvement in the company’s science and ongoing development.

Andy was an inspiration to many people inside and outside the field.   Our thoughts are with his wife and children at this very sad time.   He will be sorely missed by all of us.

—Prof. Philip Biggin, Department of Biochemistry, Oxford

Announcements, Conferences

Announcing the 4th CCPBioSim/CCP5 Conference on Multiscale Modelling of Condensed Phase and Biological Systems

30th March – 1st April 2020
Manchester, UK

The early bird registration deadline for the 4th Manchester Multiscale Conference is coming soon (30 November 2019). The abstract submission deadline is 30 January 2020. Please see the CCPBioSim website for further details.

Continue reading “Announcing the 4th CCPBioSim/CCP5 Conference on Multiscale Modelling of Condensed Phase and Biological Systems”

Announcements, Conferences, Meetings

Announcing “Computational Drug Design: A Tribute to Frank Blaney”

June 17-19 2020, The Queen’s University, Belfast, U.K.

https://frank-blaney-mgms-conference.weebly.com/

The MGMS is pleased to announce our scientific meeting to honor the life and work of Dr Frank Blaney, a well-known computational chemist who worked for many years in the pharmaceutical industry. Frank was a pioneer within the world of molecular modelling, particularly with respect to Drug Discovery. Not only did he contribute greatly to promoting science within academia but also in advancing commercial sectors for Drug Discovery.  Frank was actively involved in the development of approaches to model membrane bound proteins such as GPCRs, ion channels and transporters, and the application of these approaches in drug discovery. Frank was a founding member of the Molecular Graphics and Modelling Society (MGMS), and over the years worked in a number of academic and commercial institutions including Oxford University, Queen’s University Belfast, as well as Beecham Pharmaceuticals, GSK and Heptares.

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Announcements, Conferences, Meetings

Announcing the AMMA MM2019 Conference

We are pleased to announce the Australasian chapter of the MGMS, AMMA (the Association of Molecular Modellers of Australasia), is organizing their premier conference on molecular modelling from December 5-8, 2019. It will be held on the beautiful resort island of Bintan (Indonesia), around an hour’s ferry ride from Singapore.

For more information, see https://mm2019.bii.a-star.edu.sg.

This is the first time that the MM conference is being hosted in Asia, and it will bring together an international audience at all stages of their careers. It will also feature the award lecture by the 2019 winner of the AMMA Medal. Themes of the conference will include:

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MGMS Big Data Meeting a big success

The recent MGMS Big Ideas for Big Data in Drug Discovery Meeting took place at the School of Pharmacy, UCL in London, and was a big success. A big thank you to MGMS Member Dr Ewa Chudyk from Vertex Pharmaceuticals for organizing it; to Dr. Shozeb Haider for hosting us; and our many sponsors for helping to make it possible. Ewa will post an update soon: in the meantime, here is a picture of our Chair, Prof. Phil Biggin, advertising our new MGMS Early Career Workshop Initiative:

Prof. Phil Biggin, University of Oxford, & Chair of MGMS talks about the MGMS Early Career Workshop initiative.
MGMS Lecture Tour, MGMS Prizes

MGMS Silver Jubilee Award

It was with great pleasure that the Chair of the MGMS, Prof. Philip Biggin, presented the 10th MGMS Silver Jubilee Award to Dr David Glowacki, from the University of Bristol. David was in Oxford as part of his MGMS Lecture Tour, and a jointly held with Comp Chem Kitchen and CCK-13.

MGMS Chair, Prof. Philip Biggin, presents Dr. David Glowacki with the 10th MGMS Silver Jubilee Award tankard at the MGMS Lecture Tour/CCK-13 at Oxford.

 

David also demonstrated his VR system with a molecular dynamics engine using the MMFF94 force field and two buckyballs that could be independently and simultaneously manipulated by two people:

MGMS Silver Jubilee Award Winner Dr David Glowacki demos VR at CCK-13 (Trimmed, 480p, 2)

Thankfully, no one threw up, fell over, or tripped off the stage! And everyone who tried it was impressed at how easy it was to manipulate the molecules and interact with the simulation.