High throughput molecular dynamics for drug discovery

¹ Computational Biophysics Laboratory (GRIB-IMIM), Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), C/Doctor Aiguader 88, Barcelona 08003, Spain

² Institució Catalana de Recerca i Estudis Avançats, Passeig Lluis Companys 23, Barcelona 08010, Spain

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