Pubblicazioni

Unveiling the Excited State Dynamics of Indole in Solution

2023 - JOURNAL OF CHEMICAL THEORY AND COMPUTATION
Chen, C. G.; Giustini, M.; D'Abramo, M.; Amadei, A.

PyMM: An Open-Source Python Program for QM/MM Simulations Based on the Perturbed Matrix Method

2022 - JOURNAL OF CHEMICAL THEORY AND COMPUTATION
Chen, CHENG GIUSEPPE; Nardi, ALESSANDRO NICOLA; Amadei, Andrea; D'Abramo, Marco

Theoretical characterization of the reduction potentials of nucleic acids in solution

2021 - JOURNAL OF CHEMICAL THEORY AND COMPUTATION
D'Annibale, V.; Nardi, A. N.; Amadei, A.; D'Abramo, M.

Sodium binding sites and permeation mechanism in the NaChBac channel: a molecular dynamics study

2017 - JOURNAL OF CHEMICAL THEORY AND COMPUTATION
Guardiani, Carlo; Mark Rodger, P.; Fedorenko, Olena A.; Roberts, Stephen K.; Khovanov, Igor A.

Exploiting Homology Information in Nontemplate Based Prediction of Protein Structures

2015 - JOURNAL OF CHEMICAL THEORY AND COMPUTATION
Iacoangeli, Alfredo; Marcatili, Paolo; Tramontano, Anna

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