7th CAPRI evaluation meeting 2019

03 Apr, 2019 – 05 Apr, 2019 @ All Day – Get the latest update on the current status of computational procedures for modeling protein-protein interactions and the association of proteins with other macromolecules from this 7th CAPRI evaluation meeting. For more information – CAPRI (Critical Assessment of Predicted Interactions) is a community wide experiment designed to test methods for predicting the structure of macromolecular […] [...]

Joint Instruct-ERIC/CAPRI Workshop

01 Apr, 2019 – 02 Apr, 2019 @ All Day – Registration now open for the Joint Instruct-ERIC/CAPRI Workshop on Integrated Modelling of Protein-Protein Interactions Workshop. The course will run prior to the 7th CAPRI Assessment Meeting, from the 1st – 2nd April 2019 at EMBL-EBI, Hinxton, UK. The course will consist of six sessions followed by a practical component overseen by the lecturer and an […] [...]

Hünfeld 2019: Workshop on Computer Simulation and Theory of Macromolecules

22 Mar, 2019 – 23 Mar, 2019 @ All Day – The exponential increase of known protein structures and the wealth of experimental data on biomolecular dynamics and function particularly in the single molecule field creates a rapidly growing demand for computer simulation studies at the atomic level. This informal and interdisciplinary meeting for physicists, chemists, and biologists using and/or developing computer simulation techniques for the […] [...]

Talks by Dr Paul Bauer at University of Oxford

25 Feb, 2019 – 26 Feb, 2019 @ 00:00 – Dr Paul Bauer from the GROMACS Development team at KTH will visit University of Oxford on 25 – 26 February 2019 to present talks on the following topics. Trying to understand enzyme catalysis using QM/MM EVB: Example of epoxide hydrolysis Monday 25th 9:30am, Wolfson room, CRL On Monday, 25th Feb, he will give a talk on showcasing the Empirical Valence Bond (EVB) method […] [...]

BioExcel/MolSSI Workshop on Workflows in Biomolecular Simulations

11 Dec, 2018 – 14 Dec, 2018 @ 00:00 – As part of the collaborative framework, BioExcel CoE and MolSSI are organizing a series of workshops on the application of workflow solutions for biomolecular modelling and simulations. This first event will be by invitation only and will be hosted by BioExcel in Barcelona. A follow-up is planned for 2019 in the US hosted by MolSSI. […] [...]

Minisymposium: Biomolecular simulation in drug discovery

29 Nov, 2018 @ 09:00 – 17:00 – SciLifeLab will be organising a workshop on: Biomolecular simulation in drug discovery in Stockholm. The programme will include talks on molecular modelling applications, drug discovery as well as talks on selected abstracts. More information can be found here. Registration open here : [...]