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Journal of Chemical Information and Modeling|October 21, 2024
Structure and Energetics of PET-Hydrolyzing Enzyme Complexes: A Systematic Comparison from Molecular Dynamics SimulationsAlessandro Berselli, Maria Cristina Menziani, Francesco Muniz-MirandaJournal of Computational Chemistry|July 20, 2024
Blueshift of the CN stretching vibration of acetonitrile in solution: computational and experimental studyFrancesco Muniz-Miranda, Alfonso Pedone, Maria Cristina MenzianiThe Journal of Physical Chemistry. A|September 24, 2014
DFT and TD-DFT assessment of the structural and optoelectronic properties of an organic-Ag14 nanoclusterFrancesco Muniz-Miranda, Maria Cristina Menziani, Alfonso PedoneThe Journal of Physical Chemistry. A|June 21, 2021
Development and Application of a ReaxFF Reactive Force Field for Cerium Oxide/Water InterfacesLuca Brugnoli, Maria Cristina Menziani, Shingo Urata, et al.Journal of Computer-Aided Molecular Design|June 18, 2013
Approaching the 5-HT₃ receptor heterogeneity by computational studies of the transmembrane and intracellular domainsMarta Del Cadia, Francesca De Rienzo, Maria Cristina MenzianiThe Journal of Physical Chemistry Letters|February 2, 2023
Evidence of Multiple Crystallization Pathways in Lithium Disilicate: A Metadynamics InvestigationFederica Lodesani, Maria Cristina Menziani, Shingo Urata, et al.International Journal of Molecular Sciences|January 8, 2023
Alginate Beads Containing Cerium-Doped Mesoporous Glass and Curcumin: Delivery and Stabilization of TherapeuticsDebora Carrozza, Gianluca Malavasi, Erika Ferrari, et al.The Journal of Physical Chemistry. B|September 30, 2017
Computational Insight into the Interaction of Cytochrome C with Wet and PVP-Coated Ag SurfacesFrancesco Tavanti, Alfonso Pedone, Paolo Matteini, et al.The Journal of Chemical Physics|May 21, 2022
Biasing crystallization in fused silica: An assessment of optimal metadynamics parametersFederica Lodesani, Maria Cristina Menziani, Shingo Urata, et al.Physical Chemistry Chemical Physics : PCCP|August 11, 2012
A first step towards the understanding of the 5-HT3 receptor subunit heterogeneity from a computational point of viewFrancesca De Rienzo, Marta Del Cadia, Maria Cristina MenzianiPageof 6