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Eva Nittinger

Showing results (1-10 of 28) with videos related to

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Journal of Cheminformatics|April 18, 2023
Biomedical data analyses facilitated by open cheminformatics workflowsEva Nittinger, Alex Clark, Anna Gaulton, et al.
Journal of Chemical Information and Modeling|March 6, 2015
Evidence of water molecules--a statistical evaluation of water molecules based on electron densityEva Nittinger, Nadine Schneider, Gudrun Lange, et al.
Journal of Chemical Information and Modeling|October 6, 2017
Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray StructuresAgnes Meyder, Eva Nittinger, Gudrun Lange, et al.
Journal of Computer-Aided Molecular Design|August 28, 2016
mRAISE: an alternative algorithmic approach to ligand-based virtual screeningMathias M von Behren, Stefan Bietz, Eva Nittinger, et al.
ACS Omega|August 8, 2022
Implications of Additivity and Nonadditivity for Machine Learning and Deep Learning Models in Drug DesignKarolina Kwapien, Eva Nittinger, Jiazhen He, et al.
Journal of Chemical Information and Modeling|November 1, 2024
Challenge for Deep Learning: Protein Structure Prediction of Ligand-Induced Conformational Changes at Allosteric and Orthosteric SitesGustav Olanders, Giulia Testa, Alessandro Tibo, et al.
Nature Communications|August 25, 2024
Exhaustive local chemical space exploration using a transformer modelAlessandro Tibo, Jiazhen He, Jon Paul Janet, et al.
Journal of Chemical Information and Modeling|September 12, 2017
NAOMInova: Interactive Geometric Analysis of Noncovalent Interactions in Macromolecular StructuresTherese Inhester, Eva Nittinger, Kai Sommer, et al.
Journal of Chemical Information and Modeling|July 24, 2018
Placement of Water Molecules in Protein Structures: From Large-Scale Evaluations to Single-Case ExamplesEva Nittinger, Florian Flachsenberg, Stefan Bietz, et al.
ACS Omega|May 31, 2021
Siamese Recurrent Neural Network with a Self-Attention Mechanism for Bioactivity PredictionDaniel Fernández-Llaneza, Silas Ulander, Dea Gogishvili, et al.
Pageof 3

Showing results (1-10 of 28) with videos related to

Sort By:
Pageof 3
Journal of Cheminformatics|April 18, 2023
Biomedical data analyses facilitated by open cheminformatics workflowsEva Nittinger, Alex Clark, Anna Gaulton, et al.
Journal of Chemical Information and Modeling|March 6, 2015
Evidence of water molecules--a statistical evaluation of water molecules based on electron densityEva Nittinger, Nadine Schneider, Gudrun Lange, et al.
Journal of Chemical Information and Modeling|October 6, 2017
Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray StructuresAgnes Meyder, Eva Nittinger, Gudrun Lange, et al.
Journal of Computer-Aided Molecular Design|August 28, 2016
mRAISE: an alternative algorithmic approach to ligand-based virtual screeningMathias M von Behren, Stefan Bietz, Eva Nittinger, et al.
ACS Omega|August 8, 2022
Implications of Additivity and Nonadditivity for Machine Learning and Deep Learning Models in Drug DesignKarolina Kwapien, Eva Nittinger, Jiazhen He, et al.
Journal of Chemical Information and Modeling|November 1, 2024
Challenge for Deep Learning: Protein Structure Prediction of Ligand-Induced Conformational Changes at Allosteric and Orthosteric SitesGustav Olanders, Giulia Testa, Alessandro Tibo, et al.
Nature Communications|August 25, 2024
Exhaustive local chemical space exploration using a transformer modelAlessandro Tibo, Jiazhen He, Jon Paul Janet, et al.
Journal of Chemical Information and Modeling|September 12, 2017
NAOMInova: Interactive Geometric Analysis of Noncovalent Interactions in Macromolecular StructuresTherese Inhester, Eva Nittinger, Kai Sommer, et al.
Journal of Chemical Information and Modeling|July 24, 2018
Placement of Water Molecules in Protein Structures: From Large-Scale Evaluations to Single-Case ExamplesEva Nittinger, Florian Flachsenberg, Stefan Bietz, et al.
ACS Omega|May 31, 2021
Siamese Recurrent Neural Network with a Self-Attention Mechanism for Bioactivity PredictionDaniel Fernández-Llaneza, Silas Ulander, Dea Gogishvili, et al.
Pageof 3