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We are excited to announce that applications are now open for the face-to-face BioExcel Summer School on Biomolecular Simulations, 12 - 17 June 2022 in Sardinia, Italy. The school is intended for primarily PhD and post-docs using biomolecular modelling and simulation. The summer school is supported by Sardegna Ricerche and is subject to the COVID-19 pandemic situation.
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Applications open for face-to-face BioExcel Summer School on Biomolecular Simulations
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The BioExcel summer school will include sessions on molecular dynamics simulations, biomolecular docking, free energy calculations and more. Through hands-on practicals, participants will train on BioExcel tools such as GROMACS, HADDOCK, PMX and CP2K. Applications close on 7 March.
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Packaging research artefacts with RO-Crate
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In this paper RO-Crate is introduced - an open, community-driven, and lightweight approach to packaging research artefacts along with their metadata in a machine readable manner.
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DeepRank: a deep learning framework for data mining 3D protein-protein interfaces
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DeepRank is a deep learning framework for data mining protein-protein interfaces. This paper demonstrates its performance on two challenges: the classification of biological versus crystallographic PPIs, and the ranking of docking models.
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AI for drug discovery: what’s the hold up?
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Molecular basis of Arginine and Lysine DNA sequence-dependent thermo-stability modulation
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Watch: CHARMM Force Field Development History, Features and Implementation in GROMACS
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