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Lista de obras de Massimo Delle Piane

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

artículo científico publicado en 2012

Atomistic Details of Chymotrypsin Conformational Changes upon Adsorption on Silica

artículo científico publicado en 2018

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

artículo científico publicado en 2015

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

artículo científico publicado en 2013

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

artículo científico publicado en 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

artículo científico publicado en 2021

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

artículo científico publicado en 2017

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

artículo científico publicado en 2018

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

artículo científico publicado en 2014

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

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