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Physical Chemistry Chemical Physics : PCCP
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August 31, 2017
Ability of the Poisson-Boltzmann equation to capture molecular dynamics predicted ion distribution around polyelectrolytes
Piotr Batys, Sohvi Luukkonen, Maria Sammalkorpi
The Journal of Chemical Physics
|
March 9, 2021
Pressure correction for solvation theories
Anton Robert, Sohvi Luukkonen, Maximilien Levesque
Journal of Chemical Information and Modeling
|
July 19, 2024
Diverse Hits in De Novo Molecule Design: Diversity-Based Comparison of Goal-Directed Generators
Philipp Renz, Sohvi Luukkonen, Günter Klambauer
Journal of Chemical Information and Modeling
|
April 30, 2025
MHNfs: Prompting In-Context Bioactivity Predictions for Low-Data Drug Discovery
Johannes Schimunek, Sohvi Luukkonen, Günter Klambauer
The Journal of Physical Chemistry. B
|
July 11, 2020
Simple Parameter-Free Bridge Functionals for Molecular Density Functional Theory. Application to Hydrophobic Solvation
Daniel Borgis, Sohvi Luukkonen, Luc Belloni, et al.
The Journal of Chemical Physics
|
February 17, 2020
Hydration free energies and solvation structures with molecular density functional theory in the hypernetted chain approximation
Sohvi Luukkonen, Maximilien Levesque, Luc Belloni, et al.
Journal of Chemical Information and Modeling
|
June 26, 2020
Predicting Hydration Free Energies of the FreeSolv Database of Drug-like Molecules with Molecular Density Functional Theory
Sohvi Luukkonen, Luc Belloni, Daniel Borgis, et al.
The Journal of Chemical Physics
|
July 16, 2021
Accurate prediction of hydration free energies and solvation structures using molecular density functional theory with a simple bridge functional
Daniel Borgis, Sohvi Luukkonen, Luc Belloni, et al.
Current Opinion in Structural Biology
|
February 12, 2023
Artificial intelligence in multi-objective drug design
Sohvi Luukkonen, Helle W van den Maagdenberg, Michael T M Emmerich, et al.
Journal of Chemical Information and Modeling
|
June 5, 2023
DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical Space
Martin Šícho, Sohvi Luukkonen, Helle W van den Maagdenberg, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Physical Chemistry Chemical Physics : PCCP
|
August 31, 2017
Ability of the Poisson-Boltzmann equation to capture molecular dynamics predicted ion distribution around polyelectrolytes
Piotr Batys, Sohvi Luukkonen, Maria Sammalkorpi
The Journal of Chemical Physics
|
March 9, 2021
Pressure correction for solvation theories
Anton Robert, Sohvi Luukkonen, Maximilien Levesque
Journal of Chemical Information and Modeling
|
July 19, 2024
Diverse Hits in De Novo Molecule Design: Diversity-Based Comparison of Goal-Directed Generators
Philipp Renz, Sohvi Luukkonen, Günter Klambauer
Journal of Chemical Information and Modeling
|
April 30, 2025
MHNfs: Prompting In-Context Bioactivity Predictions for Low-Data Drug Discovery
Johannes Schimunek, Sohvi Luukkonen, Günter Klambauer
The Journal of Physical Chemistry. B
|
July 11, 2020
Simple Parameter-Free Bridge Functionals for Molecular Density Functional Theory. Application to Hydrophobic Solvation
Daniel Borgis, Sohvi Luukkonen, Luc Belloni, et al.
The Journal of Chemical Physics
|
February 17, 2020
Hydration free energies and solvation structures with molecular density functional theory in the hypernetted chain approximation
Sohvi Luukkonen, Maximilien Levesque, Luc Belloni, et al.
Journal of Chemical Information and Modeling
|
June 26, 2020
Predicting Hydration Free Energies of the FreeSolv Database of Drug-like Molecules with Molecular Density Functional Theory
Sohvi Luukkonen, Luc Belloni, Daniel Borgis, et al.
The Journal of Chemical Physics
|
July 16, 2021
Accurate prediction of hydration free energies and solvation structures using molecular density functional theory with a simple bridge functional
Daniel Borgis, Sohvi Luukkonen, Luc Belloni, et al.
Current Opinion in Structural Biology
|
February 12, 2023
Artificial intelligence in multi-objective drug design
Sohvi Luukkonen, Helle W van den Maagdenberg, Michael T M Emmerich, et al.
Journal of Chemical Information and Modeling
|
June 5, 2023
DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical Space
Martin Šícho, Sohvi Luukkonen, Helle W van den Maagdenberg, et al.
Page
of 2