Isabella Daidone - researchr alias

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Viewing Publication 1 - 5 from 5

2022

Structural analysis of water networksMichele Benzi, Isabella Daidone, Chiara Faccio, Laura Zanetti Polzi. compnet, 11(1), December 2022. [doi]

2020

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19A. Acharya, Rupesh Agarwal, Matthew B. Baker, Jérôme Baudry, Debsindhu Bhowmik, Swen Böhm, K. G. Byler, S. Y. Chen, Leighton Coates, C. J. Cooper, O. Demerdash, Isabella Daidone, John D. Eblen, Sally R. Ellingson, Stefano Forli, J. Glaser, James C. Gumbart, J. Gunnels, Oscar R. Hernandez, Stephan Irle, D. W. Kneller, A. Kovalevsky, Jeffrey M. Larkin, T. J. Lawrence, Scott Legrand, S.-H. Liu, J. C. Mitchell, G. Park, Jerry M. Parks, Anna Pavlova, Loukas Petridis, Duncan Poole, L. Pouchard, A. Ramanathan, D. M. Rogers, Diogo Santos-Martins, Aaron Scheinberg, Ada Sedova, Y. Shen, Jeremy C. Smith, Micholas Dean Smith, C. Soto, A. Tsaris, Mathialakan Thavappiragasam, Andreas F. Tillack, Josh V. Vermaas, V. Q. Vuong, J. Yin, S. Yoo, M. Zahran, Laura Zanetti Polzi. jcisd, 60(12):5832-5852, 2020. [doi]

2018

Tyrosine absorption spectroscopy: Backbone protonation effects on the side chain electronic propertiesSara Del Galdo, Giordano Mancini, Isabella Daidone, Laura Zanetti Polzi, Andrea Amadei, Vincenzo Barone. jcc, 39(22):1747-1756, 2018. [doi]

2011

Structured Pathway across the Transition State for Peptide Folding Revealed by Molecular Dynamics SimulationsLipi Thukral, Isabella Daidone, Jeremy C. Smith. ploscb, 7(9), 2011. [doi]

2010

Hydrogen-Bond Driven Loop-Closure Kinetics in Unfolded Polypeptide ChainsIsabella Daidone, Hannes Neuweiler, Sören Doose, Markus Sauer, Jeremy C. Smith. ploscb, 6(1), 2010. [doi]

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