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The Journal of Physical Chemistry. B
|
July 21, 2006
Magnetic effects of disulfide bridges: a density functional and semiempirical study
Finton Sirockin, Annick Dejaegere
Chimia
|
September 28, 2018
Practical Aspects of Machine Learning for the Design-Synthesis-Purify-Assay Workflow
Finton Sirockin, Nikolaus Stiefl
Journal of Chemical Information and Modeling
|
August 13, 2024
Balancing Molecular Size, Activity, Permeability, and Other Properties: Drug Candidates in the Context of Their Chemical Structure Optimization
Maximilian Beckers, Finton Sirockin, Nikolas Fechner, et al.
Journal of Chemical Information and Modeling
|
June 26, 2025
Scaffold Hopping with Generative Reinforcement Learning
Luke Rossen, Finton Sirockin, Nadine Schneider, et al.
Journal of Computer-Aided Molecular Design
|
May 29, 2021
CAVIAR: a method for automatic cavity detection, description and decomposition into subcavities
Jean-Rémy Marchand, Bernard Pirard, Peter Ertl, et al.
Journal of Chemical Information and Modeling
|
March 26, 2019
Drug Analogs from Fragment-Based Long Short-Term Memory Generative Neural Networks
Mahendra Awale, Finton Sirockin, Nikolaus Stiefl, et al.
Chemmedchem
|
June 11, 2009
Elastic potential grids: accurate and efficient representation of intermolecular interactions for fully flexible docking
Sina Kazemi, Dennis M Krüger, Finton Sirockin, et al.
Molecular Informatics
|
June 7, 2019
Medicinal Chemistry Aware Database GDBMedChem
Mahendra Awale, Finton Sirockin, Nikolaus Stiefl, et al.
Molecular Informatics
|
November 22, 2016
Building Compound Archives for the Future
Richard Lewis, Joakim Deheuvels, Peter Ertl, et al.
Journal of Medicinal Chemistry
|
August 20, 2004
Functionality maps of the ATP binding site of DNA gyrase B: generation of a consensus model of ligand binding
Martina Schechner, Finton Sirockin, Roland H Stote, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 24) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. B
|
July 21, 2006
Magnetic effects of disulfide bridges: a density functional and semiempirical study
Finton Sirockin, Annick Dejaegere
Chimia
|
September 28, 2018
Practical Aspects of Machine Learning for the Design-Synthesis-Purify-Assay Workflow
Finton Sirockin, Nikolaus Stiefl
Journal of Chemical Information and Modeling
|
August 13, 2024
Balancing Molecular Size, Activity, Permeability, and Other Properties: Drug Candidates in the Context of Their Chemical Structure Optimization
Maximilian Beckers, Finton Sirockin, Nikolas Fechner, et al.
Journal of Chemical Information and Modeling
|
June 26, 2025
Scaffold Hopping with Generative Reinforcement Learning
Luke Rossen, Finton Sirockin, Nadine Schneider, et al.
Journal of Computer-Aided Molecular Design
|
May 29, 2021
CAVIAR: a method for automatic cavity detection, description and decomposition into subcavities
Jean-Rémy Marchand, Bernard Pirard, Peter Ertl, et al.
Journal of Chemical Information and Modeling
|
March 26, 2019
Drug Analogs from Fragment-Based Long Short-Term Memory Generative Neural Networks
Mahendra Awale, Finton Sirockin, Nikolaus Stiefl, et al.
Chemmedchem
|
June 11, 2009
Elastic potential grids: accurate and efficient representation of intermolecular interactions for fully flexible docking
Sina Kazemi, Dennis M Krüger, Finton Sirockin, et al.
Molecular Informatics
|
June 7, 2019
Medicinal Chemistry Aware Database GDBMedChem
Mahendra Awale, Finton Sirockin, Nikolaus Stiefl, et al.
Molecular Informatics
|
November 22, 2016
Building Compound Archives for the Future
Richard Lewis, Joakim Deheuvels, Peter Ertl, et al.
Journal of Medicinal Chemistry
|
August 20, 2004
Functionality maps of the ATP binding site of DNA gyrase B: generation of a consensus model of ligand binding
Martina Schechner, Finton Sirockin, Roland H Stote, et al.
Page
of 3