Molecular Dynamics Today

- Current challenges and future perspectives for numerical simulations
in the Life Sciences -

14 - 15 March 2019, Bologna

https://sites.google.com/view/md2dmeeting2019/

These are exciting times for Molecular Dynamics (MD) simulations.
Thanks to advances in force field development, sampling methods,
and hardware performances, MD is gaining growing consideration in the
Life Science community. For the first time since its inception, MD is
becoming an effective tool to assist experiments and make
quantitative predictions. This progress in the field is prompting a
full integration of MD simulations in drug discovery programs in both
academia and industry. Several challenges need now to be addressed to
complete this transition, including the development of reliable
force fields for all the molecular entities found in biological environments,
more realistic simulative conditions (including multiscale approaches),
and rigorous assessment of errors and uncertainties associated to limitations
of sampling. The aim of this workshop is to gather together a
diverse audience, promoting an international exchange of knowledge in a
highly stimulating scientific context and friendly atmosphere.

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