Massimiliano Aschi

发表

Flexible and Comprehensive Implementation of MD-PMM Approach in a General and Robust Code.

Vincenzo Barone, Oliver Carrillo-Parramon, Sara del Galdo, 2017, Journal of chemical theory and computation.

Conformational fluctuations and electronic properties in myoglobin

Massimiliano Aschi, Andrea Amadei, Costantino Zazza, 2004, J. Comput. Chem..

Computational study of the catalytic domain of human neutrophil collagenase. Specific role of the S3and S′3subsites in the interaction with a phosphonate inhibitor

Michael Pieper, Massimiliano Aschi, Alfredo Di Nola, 2002, J. Comput. Aided Mol. Des..

Dynamical Aspects of TEM-1 β-Lactamase Probed by Molecular Dynamics

Massimiliano Aschi, Cecilia Bossa, Alfredo Di Nola, 2005, J. Comput. Aided Mol. Des..

Essential dynamics for the study of microstructures in liquids

Massimiliano Aschi, Andrea Amadei, Maira D'Alessando, 2015, J. Comput. Chem..

The singlet and triplet states of phenyl cation. A hybrid approach for locating minimum energy crossing points between non-interacting potential energy surfaces

Massimiliano Aschi, Wolfram Koch, Jeremy N. Harvey, 1998 .

Theoretical characterization of structural and energetical properties of water clusters, by means of a simple polarizable water Hamiltonian

Massimiliano Aschi, Andrea Amadei, A. Di Lella, 2008 .

Dynamical aspects of TEM-1 beta-lactamase probed by molecular dynamics.

Massimiliano Aschi, Cecilia Bossa, Gianluca Sbardella, 2005, Journal of computer-aided molecular design.

Does adsorption at hydroxyapatite surfaces induce peptide folding? Insights from large-scale B3LYP calculations.

Massimiliano Aschi, Albert Rimola, Roberto Orlando, 2012, Journal of the American Chemical Society.

Folding propensity and biological activity of peptides: The effect of a single stereochemical isomerization on the conformational properties of bombinins in aqueous solution

Massimiliano Aschi, A. Rinaldi, M. Mangoni, 2008, Biopolymers.