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List of works by Massimo Delle Piane

A new massively parallel version of CRYSTAL for large systems on high performance computing architectures.

scientific article published on 19 July 2012

Atomistic Details of Chymotrypsin Conformational Changes upon Adsorption on Silica

scientific article published on 15 November 2018

Computational Study of Acidic and Basic Functionalized Crystalline Silica Surfaces as a Model for Biomaterial Interfaces.

scientific article

Does Dispersion Dominate over H-Bonds in Drug-Surface Interactions? The Case of Silica-Based Materials As Excipients and Drug-Delivery Agents

scientific article published on 17 April 2013

Elucidating the fundamental forces in protein crystal formation: the case of crambin.

scientific article published on 24 November 2015

Impact of the Conformational Variability of Oligopeptides on the Computational Prediction of Their CD Spectra

scientific article published on 25 July 2019

Lessons from a Challenging System: Accurate Adsorption Free Energies at the Amino Acid/ZnO Interface

scientific article published on 30 June 2021

Models for biomedical interfaces: a computational study of quinone-functionalized amorphous silica surface features.

scientific article

Molecular Dynamics Simulations of the Silica–Cell Membrane Interaction: Insights on Biomineralization and Nanotoxicity

scientific article published in 2018

Silica-Based Materials as Drug Adsorbents: First Principle Investigation on the Role of Water Microsolvation on Ibuprofen Adsorption

scientific article published on 04 February 2014

Structural and computational assessment of the influence of wet-chemical post-processing of the Al-substituted cubic Li7La3Zr2O12

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