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Disambiguation of "Carloni, Paolo"

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Unbinding kinetics of a p38 MAP kinase type II inhibitor from metadynamics simulations

, , , , and . Journal of the American Chemical Society, (2017)PMID: 28290199.
DOI: 10.1021/jacs.6b12950

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Olivier Carloni

Giordano Paolo

Paolo Molteni

Paolo Bavaj

Paolo Fornara

 

Other publications of authors with the same name

Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations., , , , , , , , , and . J. Chem. Inf. Model., 63 (12): 3647-3658 (June 2023)On the nature of the reaction intermediate in the HIV-1 protease: a quantum chemical study., , , and . Comput. Phys. Commun., 179 (1-3): 120-123 (2008)Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure., , , , , , , and . J. Comput. Chem., 29 (1): 38-49 (2008)Molecular motions in drug design: the coming age of the metadynamics method., , , , and . J. Comput. Aided Mol. Des., 25 (5): 395-402 (2011)Exhaustive search of ligand binding pathways via volume-based metadynamics, , and . The journal of physical chemistry letters, 10 (12): 3495--3499 (2019)Structural models of human big conductance calcium- and voltage-gated potassium channels., , , and . Comput. Phys. Commun., 177 (1-2): 21-26 (2007)Unbinding kinetics of a p38 MAP kinase type II inhibitor from metadynamics simulations, , , , and . Journal of the American Chemical Society, (2017)PMID: 28290199.On the Zwitterionic Nature of Gas-Phase Peptides and Protein Ions., , , and . PLoS Comput. Biol., (2010)On the active site of mononuclear B1 metallo β-lactamases: a computational study., , , , , and . J. Comput. Aided Mol. Des., 26 (4): 425-435 (2012)Structural prediction of the interaction of the tumor suppressor p27KIP1 with cyclin A/CDK2 identifies a novel catalytically relevant determinant., , , , and . BMC Bioinform., 18 (1): 15:1-15:9 (2017)