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An enhanced-sampling MD-based protocol for molecular docking
Andrea Basciu, View ORCID ProfileGiuliano Malloci, View ORCID ProfileFabio Pietrucci, View ORCID ProfileAlexandre M. J. J. Bonvin, Attilio V. Vargiu
doi: https://doi.org/10.1101/434092
Andrea Basciu
†Dipartimento di Fisica, Università di Cagliari, Cittadella Universitaria, I-09042 Monserrato (CA), Italy
Giuliano Malloci
†Dipartimento di Fisica, Università di Cagliari, Cittadella Universitaria, I-09042 Monserrato (CA), Italy
Fabio Pietrucci
§Sorbonne Université, Muséum National dHistoire Naturelle, UMR CNRS 7590, IRD, Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, IMPMC, F-75005 Paris, France
Alexandre M. J. J. Bonvin
‖Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, 3584CH Utrecht, The Netherlands
Attilio V. Vargiu
†Dipartimento di Fisica, Università di Cagliari, Cittadella Universitaria, I-09042 Monserrato (CA), Italy
‖Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, 3584CH Utrecht, The Netherlands
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Posted October 03, 2018.
An enhanced-sampling MD-based protocol for molecular docking
Andrea Basciu, Giuliano Malloci, Fabio Pietrucci, Alexandre M. J. J. Bonvin, Attilio V. Vargiu
bioRxiv 434092; doi: https://doi.org/10.1101/434092
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