Concepedia
Statistics
Publications
14
Citations
710
H-Index
13
Active since
2015
Affiliations
Sorbonne Université(Current)
Laboratoire de Chimie Théorique
University of Pisa
Centre National de la Recherche Scientifique
The University of Texas at Austin
Daniele Loco is an author at Sorbonne Université specializing in chemistry, natural sciences, and computational chemistry.
Publications per year
2015–2024
A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations
Daniele Loco, Étienne Polack, Stefano Caprasecca et al. · Journal of Chemical Theory and Computation · 2016 · 192 citations · Full text
Natural Sciences, Chemistry, Physics +17
Hybrid QM/MM Molecular Dynamics with AMOEBA Polarizable Embedding
Daniele Loco, Louis Lagardère, Stefano Caprasecca et al. · Journal of Chemical Theory and Computation · 2017 · 126 citations · Full text
Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings
Daniele Loco, Louis Lagardère, G. Andrés Cisneros et al. · Chemical Science · 2019 · 72 citations · Full text
The modeling of the absorption lineshape for embedded molecules through a polarizable QM/MM approach
Daniele Loco, Sandro Jurinovich, Lorenzo Cupellini et al. · Photochemical & Photobiological Sciences · 2018 · 62 citations · Full text
Natural Sciences, Chemistry, Physics +16
Computationally driven discovery of SARS-CoV-2 M<sup>pro</sup>inhibitors: from design to experimental validation
Léa El Khoury, Zhifeng Jing, Alberto Cuzzolin et al. · Chemical Science · 2022 · 42 citations · Full text
Pharmacy, Medicinal Chemistry, Molecular Biology +14
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