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The Journal of Physical Chemistry. B
|
December 16, 2025
Machine Learning-Based Thermodynamic Modeling of Acid Gas Absorption in Aqueous Methyldiethanolamine and Aqueous Piperazine
Kyrylo Klimenko, Rui Afonso, Paolo Stringari, et al.
Journal of Chemical Information and Modeling
|
November 1, 2021
SynthI: A New Open-Source Tool for Synthon-Based Library Design
Yuliana Zabolotna, Dmitriy M Volochnyuk, Sergey V Ryabukhin, et al.
Environmental Science & Technology
|
November 5, 2021
Chemoinformatics-Driven Design of New Physical Solvents for Selective CO<sub>2</sub> Absorption
Alexey A Orlov, Daryna Yu Demenko, Charles Bignaud, et al.
European Journal of Medicinal Chemistry
|
January 28, 2019
Pros and cons of virtual screening based on public "Big Data": In silico mining for new bromodomain inhibitors
Iuri Casciuc, Dragos Horvath, Anastasiia Gryniukova, et al.
The Journal of Biological Chemistry
|
September 15, 2007
Structural and functional characterization of the interaction between cyclophilin B and a heparin-derived oligosaccharide
Xavier Hanoulle, Aurélie Melchior, Nathalie Sibille, et al.
Drug Discovery Today
|
November 7, 2018
Evolution of commercially available compounds for HTS
Dmitriy M Volochnyuk, Sergey V Ryabukhin, Yurii S Moroz, et al.
Journal of Chemical Information and Modeling
|
December 20, 2021
A Close-up Look at the Chemical Space of Commercially Available Building Blocks for Medicinal Chemistry
Yuliana Zabolotna, Dmitriy M Volochnyuk, Sergey V Ryabukhin, et al.
Communications Chemistry
|
January 25, 2023
Computational screening methodology identifies effective solvents for CO<sub>2</sub> capture
Alexey A Orlov, Alain Valtz, Christophe Coquelet, et al.
Scientific Reports
|
February 5, 2021
Discovery of novel chemical reactions by deep generative recurrent neural network
William Bort, Igor I Baskin, Timur Gimadiev, et al.
Biochemistry
|
April 29, 2010
Structural basis for the non-immunosuppressive character of the cyclosporin A analogue Debio 025
Isabelle Landrieu, Xavier Hanoulle, Fanny Bonachera, et al.
Page
of 11
Search research articles
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Showing results (81-90 of 108) with videos related to
Sort By:
Page
of 11
The Journal of Physical Chemistry. B
|
December 16, 2025
Machine Learning-Based Thermodynamic Modeling of Acid Gas Absorption in Aqueous Methyldiethanolamine and Aqueous Piperazine
Kyrylo Klimenko, Rui Afonso, Paolo Stringari, et al.
Journal of Chemical Information and Modeling
|
November 1, 2021
SynthI: A New Open-Source Tool for Synthon-Based Library Design
Yuliana Zabolotna, Dmitriy M Volochnyuk, Sergey V Ryabukhin, et al.
Environmental Science & Technology
|
November 5, 2021
Chemoinformatics-Driven Design of New Physical Solvents for Selective CO<sub>2</sub> Absorption
Alexey A Orlov, Daryna Yu Demenko, Charles Bignaud, et al.
European Journal of Medicinal Chemistry
|
January 28, 2019
Pros and cons of virtual screening based on public "Big Data": In silico mining for new bromodomain inhibitors
Iuri Casciuc, Dragos Horvath, Anastasiia Gryniukova, et al.
The Journal of Biological Chemistry
|
September 15, 2007
Structural and functional characterization of the interaction between cyclophilin B and a heparin-derived oligosaccharide
Xavier Hanoulle, Aurélie Melchior, Nathalie Sibille, et al.
Drug Discovery Today
|
November 7, 2018
Evolution of commercially available compounds for HTS
Dmitriy M Volochnyuk, Sergey V Ryabukhin, Yurii S Moroz, et al.
Journal of Chemical Information and Modeling
|
December 20, 2021
A Close-up Look at the Chemical Space of Commercially Available Building Blocks for Medicinal Chemistry
Yuliana Zabolotna, Dmitriy M Volochnyuk, Sergey V Ryabukhin, et al.
Communications Chemistry
|
January 25, 2023
Computational screening methodology identifies effective solvents for CO<sub>2</sub> capture
Alexey A Orlov, Alain Valtz, Christophe Coquelet, et al.
Scientific Reports
|
February 5, 2021
Discovery of novel chemical reactions by deep generative recurrent neural network
William Bort, Igor I Baskin, Timur Gimadiev, et al.
Biochemistry
|
April 29, 2010
Structural basis for the non-immunosuppressive character of the cyclosporin A analogue Debio 025
Isabelle Landrieu, Xavier Hanoulle, Fanny Bonachera, et al.
Page
of 11