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Journal of Computational Chemistry
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April 27, 2021
LSLOpt: An open-source implementation of the step-length controlled LSL-BFGS algorithm
Florian Flachsenberg, Matthias Rarey
European Journal of Medicinal Chemistry
|
December 22, 2018
NAOMInext - Synthetically feasible fragment growing in a structure-based design context
Kai Sommer, Florian Flachsenberg, Matthias Rarey
Journal of Chemical Information and Modeling
|
February 3, 2017
RingDecomposerLib: An Open-Source Implementation of Unique Ring Families and Other Cycle Bases
Florian Flachsenberg, Niek Andresen, Matthias Rarey
Journal of Chemical Information and Modeling
|
March 6, 2019
In Need of Bias Control: Evaluating Chemical Data for Machine Learning in Structure-Based Virtual Screening
Jochen Sieg, Florian Flachsenberg, Matthias Rarey
Journal of Chemical Information and Modeling
|
December 18, 2023
Redocking the PDB
Florian Flachsenberg, Christiane Ehrt, Torben Gutermuth, et al.
Journal of Chemical Information and Modeling
|
June 23, 2026
PegaPlus─Interactive Machine Learning by Human Observation for Efficient Clustering and Analysis of Structure-Activity Data
Rainer Fährrolfes, Jochen Sieg, Florian Flachsenberg, et al.
Journal of Chemical Information and Modeling
|
January 8, 2016
Feasibility of Active Machine Learning for Multiclass Compound Classification
Tobias Lang, Florian Flachsenberg, Ulrike von Luxburg, et al.
Journal of Chemical Information and Modeling
|
December 1, 2020
A Consistent Scheme for Gradient-Based Optimization of Protein<b>-</b>Ligand Poses
Florian Flachsenberg, Agnes Meyder, 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 Examples
Eva Nittinger, Florian Flachsenberg, Stefan Bietz, et al.
Journal of Chemical Information and Modeling
|
February 13, 2019
Conformator: A Novel Method for the Generation of Conformer Ensembles
Nils-Ole Friedrich, Florian Flachsenberg, Agnes Meyder, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 22) with videos related to
Sort By:
Page
of 3
Journal of Computational Chemistry
|
April 27, 2021
LSLOpt: An open-source implementation of the step-length controlled LSL-BFGS algorithm
Florian Flachsenberg, Matthias Rarey
European Journal of Medicinal Chemistry
|
December 22, 2018
NAOMInext - Synthetically feasible fragment growing in a structure-based design context
Kai Sommer, Florian Flachsenberg, Matthias Rarey
Journal of Chemical Information and Modeling
|
February 3, 2017
RingDecomposerLib: An Open-Source Implementation of Unique Ring Families and Other Cycle Bases
Florian Flachsenberg, Niek Andresen, Matthias Rarey
Journal of Chemical Information and Modeling
|
March 6, 2019
In Need of Bias Control: Evaluating Chemical Data for Machine Learning in Structure-Based Virtual Screening
Jochen Sieg, Florian Flachsenberg, Matthias Rarey
Journal of Chemical Information and Modeling
|
December 18, 2023
Redocking the PDB
Florian Flachsenberg, Christiane Ehrt, Torben Gutermuth, et al.
Journal of Chemical Information and Modeling
|
June 23, 2026
PegaPlus─Interactive Machine Learning by Human Observation for Efficient Clustering and Analysis of Structure-Activity Data
Rainer Fährrolfes, Jochen Sieg, Florian Flachsenberg, et al.
Journal of Chemical Information and Modeling
|
January 8, 2016
Feasibility of Active Machine Learning for Multiclass Compound Classification
Tobias Lang, Florian Flachsenberg, Ulrike von Luxburg, et al.
Journal of Chemical Information and Modeling
|
December 1, 2020
A Consistent Scheme for Gradient-Based Optimization of Protein<b>-</b>Ligand Poses
Florian Flachsenberg, Agnes Meyder, 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 Examples
Eva Nittinger, Florian Flachsenberg, Stefan Bietz, et al.
Journal of Chemical Information and Modeling
|
February 13, 2019
Conformator: A Novel Method for the Generation of Conformer Ensembles
Nils-Ole Friedrich, Florian Flachsenberg, Agnes Meyder, et al.
Page
of 3