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Chimia
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December 30, 2019
Data-driven Chemical Reaction Prediction and Retrosynthesis
Vishnu H Nair, Philippe Schwaller, Teodoro Laino
Nature Chemistry
|
March 21, 2026
Amino acid composition drives aggregation during peptide synthesis
Bálint Tamás, Marvin Alberts, Teodoro Laino, et al.
Journal of Chemical Theory and Computation
|
December 3, 2015
An Efficient Linear-Scaling Electrostatic Coupling for Treating Periodic Boundary Conditions in QM/MM Simulations
Teodoro Laino, Fawzi Mohamed, Alessandro Laio, et al.
Digital Discovery
|
June 14, 2023
Designing catalysts with deep generative models and computational data. A case study for Suzuki cross coupling reactions
Oliver Schilter, Alain Vaucher, Philippe Schwaller, et al.
Journal of Chemical Theory and Computation
|
December 4, 2015
An Efficient Real Space Multigrid QM/MM Electrostatic Coupling
Teodoro Laino, Fawzi Mohamed, Alessandro Laio, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 19, 2008
A QM/MM investigation of thymine dimer radical anion splitting catalyzed by DNA photolyase
Fanny Masson, Teodoro Laino, Ursula Rothlisberger, et al.
The Journal of Physical Chemistry. B
|
October 27, 2011
Surface dynamics of amorphous polymers used for high-voltage insulators
Philip T Shemella, Teodoro Laino, Oliver Fritz, et al.
The Journal of Physical Chemistry. B
|
March 5, 2011
Molecular motion of amorphous silicone polymers
Philip T Shemella, Teodoro Laino, Oliver Fritz, et al.
The Journal of Physical Chemistry. B
|
May 26, 2012
Understanding the self-healing hydrophobic recovery of high-voltage insulators
Philip T Shemella, Teodoro Laino, Oliver Fritz, et al.
Nature Communications
|
September 26, 2020
Transfer learning enables the molecular transformer to predict regio- and stereoselective reactions on carbohydrates
Giorgio Pesciullesi, Philippe Schwaller, Teodoro Laino, et al.
Page
of 6
Search research articles
Search
Showing results (11-20 of 60) with videos related to
Sort By:
Page
of 6
Chimia
|
December 30, 2019
Data-driven Chemical Reaction Prediction and Retrosynthesis
Vishnu H Nair, Philippe Schwaller, Teodoro Laino
Nature Chemistry
|
March 21, 2026
Amino acid composition drives aggregation during peptide synthesis
Bálint Tamás, Marvin Alberts, Teodoro Laino, et al.
Journal of Chemical Theory and Computation
|
December 3, 2015
An Efficient Linear-Scaling Electrostatic Coupling for Treating Periodic Boundary Conditions in QM/MM Simulations
Teodoro Laino, Fawzi Mohamed, Alessandro Laio, et al.
Digital Discovery
|
June 14, 2023
Designing catalysts with deep generative models and computational data. A case study for Suzuki cross coupling reactions
Oliver Schilter, Alain Vaucher, Philippe Schwaller, et al.
Journal of Chemical Theory and Computation
|
December 4, 2015
An Efficient Real Space Multigrid QM/MM Electrostatic Coupling
Teodoro Laino, Fawzi Mohamed, Alessandro Laio, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 19, 2008
A QM/MM investigation of thymine dimer radical anion splitting catalyzed by DNA photolyase
Fanny Masson, Teodoro Laino, Ursula Rothlisberger, et al.
The Journal of Physical Chemistry. B
|
October 27, 2011
Surface dynamics of amorphous polymers used for high-voltage insulators
Philip T Shemella, Teodoro Laino, Oliver Fritz, et al.
The Journal of Physical Chemistry. B
|
March 5, 2011
Molecular motion of amorphous silicone polymers
Philip T Shemella, Teodoro Laino, Oliver Fritz, et al.
The Journal of Physical Chemistry. B
|
May 26, 2012
Understanding the self-healing hydrophobic recovery of high-voltage insulators
Philip T Shemella, Teodoro Laino, Oliver Fritz, et al.
Nature Communications
|
September 26, 2020
Transfer learning enables the molecular transformer to predict regio- and stereoselective reactions on carbohydrates
Giorgio Pesciullesi, Philippe Schwaller, Teodoro Laino, et al.
Page
of 6