Concepedia

Daniele Loco

DL

13

Publications

674

Citations

13

H-Index

2015

Active since

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 natural sciences, quantum chemistry, and computational chemistry.

Top concepts

Natural SciencesBiophysicsEngineeringQuantum ChemistryPhysical ChemistryComputational ChemistryPhysicsChemistryApplied PhysicsMolecular Biology

Publications per year

2015–2023

13

Publications

13

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 · 188 citations · Full text

Engineering, Computational Chemistry, Chemistry +18

Hybrid QM/MM Molecular Dynamics with AMOEBA Polarizable Embedding

Daniele Loco, Louis Lagardère, Stefano Caprasecca et al. · Journal of Chemical Theory and Computation · 2017 · 124 citations · Full text

Quantum Dynamic, Engineering, Molecular Biology +16

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 · 70 citations · Full text

Excited State Property, Engineering, Physics +14

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 · 59 citations · Full text

Engineering, Physics, Natural Sciences +11

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 · 39 citations · Full text

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