Daniel Cappel
Orcid: 0000-0002-8460-7867
According to our database1,
Daniel Cappel
authored at least 10 papers
between 2011 and 2021.
Collaborative distances:
Collaborative distances:
Timeline
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Bibliography
2021
Performance of Relative Binding Free Energy Calculations on an Automatically Generated Dataset of Halogen-Deshalogen Matched Molecular Pairs.
J. Chem. Inf. Model., 2021
2020
Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects.
J. Chem. Inf. Model., 2020
Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy Simulations.
J. Chem. Inf. Model., 2020
2016
J. Chem. Inf. Model., 2016
2015
J. Chem. Inf. Model., 2015
Exploring conformational search protocols for ligand-based virtual screening and 3-D QSAR modeling.
J. Comput. Aided Mol. Des., 2015
2014
Impact of binding site waters on inhibitor design: contemplating a novel inverse binding mode of indirubin derivatives in DYRK kinases.
J. Cheminformatics, 2014
2011
Probing the Dynamic Nature of Water Molecules and Their Influences on Ligand Binding in a Model Binding Site.
J. Chem. Inf. Model., 2011
Generation of structure-based pharmacophores using energetic analysis - application on fragment docking.
J. Cheminformatics, 2011
Virtual screening using structure-based consensus pharmacophore models and ensemble docking based on MD-generated conformations.
J. Cheminformatics, 2011