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Journal of Cheminformatics
|
March 21, 2021
Molecular optimization by capturing chemist's intuition using deep neural networks
Jiazhen He, Huifang You, Emil Sandström, et al.
Proteins
|
May 10, 2017
Prediction of protein mutation effects based on dehydration and hydrogen bonding - A large-scale study
Karen T Schomburg, Eva Nittinger, Agnes Meyder, et al.
Nucleic Acids Research
|
April 17, 2020
ProteinsPlus: interactive analysis of protein-ligand binding interfaces
Katrin Schöning-Stierand, Konrad Diedrich, Rainer Fährrolfes, et al.
Journal of Cheminformatics
|
December 9, 2024
Human-in-the-loop active learning for goal-oriented molecule generation
Yasmine Nahal, Janosch Menke, Julien Martinelli, et al.
Journal of Cheminformatics
|
November 18, 2021
DockStream: a docking wrapper to enhance de novo molecular design
Jeff Guo, Jon Paul Janet, Matthias R Bauer, et al.
Journal of Chemical Information and Modeling
|
February 14, 2025
The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks
Christian Kramer, John Chodera, Kelly L Damm-Ganamet, et al.
Journal of Computer-Aided Molecular Design
|
February 14, 2019
Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison
Eva Nittinger, Paul Gibbons, Charles Eigenbrot, et al.
Journal of Biotechnology
|
June 15, 2017
From cheminformatics to structure-based design: Web services and desktop applications based on the NAOMI library
Stefan Bietz, Therese Inhester, Florian Lauck, et al.
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Search research articles
Search
Showing results (21-30 of 28) with videos related to
Sort By:
Page
of 3
You have reached the last page of results.
This site can display upto 28 results.
Journal of Cheminformatics
|
March 21, 2021
Molecular optimization by capturing chemist's intuition using deep neural networks
Jiazhen He, Huifang You, Emil Sandström, et al.
Proteins
|
May 10, 2017
Prediction of protein mutation effects based on dehydration and hydrogen bonding - A large-scale study
Karen T Schomburg, Eva Nittinger, Agnes Meyder, et al.
Nucleic Acids Research
|
April 17, 2020
ProteinsPlus: interactive analysis of protein-ligand binding interfaces
Katrin Schöning-Stierand, Konrad Diedrich, Rainer Fährrolfes, et al.
Journal of Cheminformatics
|
December 9, 2024
Human-in-the-loop active learning for goal-oriented molecule generation
Yasmine Nahal, Janosch Menke, Julien Martinelli, et al.
Journal of Cheminformatics
|
November 18, 2021
DockStream: a docking wrapper to enhance de novo molecular design
Jeff Guo, Jon Paul Janet, Matthias R Bauer, et al.
Journal of Chemical Information and Modeling
|
February 14, 2025
The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks
Christian Kramer, John Chodera, Kelly L Damm-Ganamet, et al.
Journal of Computer-Aided Molecular Design
|
February 14, 2019
Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison
Eva Nittinger, Paul Gibbons, Charles Eigenbrot, et al.
Journal of Biotechnology
|
June 15, 2017
From cheminformatics to structure-based design: Web services and desktop applications based on the NAOMI library
Stefan Bietz, Therese Inhester, Florian Lauck, et al.
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of 3