Daniel Cappel
6PUBLICATIONS
15CO-AUTHORS
Get your video featured.
Publish with JoVEGet your video featured.
Publish with JoVE
Publications (6)
Sort by Publication Date:
|Jun 25, 2021
Performance of Relative Binding Free Energy Calculations on an Automatically Generated Dataset of Halogen-Deshalogen Matched Molecular Pairs.Daniel Cappel, Jean-Christophe Mozziconacci, Tatjana Braun
|Aug 20, 2020
Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects.Christina E M Schindler, Hannah Baumann, Andreas Blum
|Jan 28, 2020
Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy Simulations.Daniel Cappel, Steven Jerome, Gerhard Hessler
|Jun 21, 2019
Small-molecule targeting of MUSASHI RNA-binding activity in acute myeloid leukemia.Gerard Minuesa, Steven K Albanese, Wei Xie
|Nov 01, 2018
The Role of Bridging Water and Hydrogen Bonding as Key Determinants of Noncovalent Protein-Carbohydrate Recognition.Anatoly M Ruvinsky, Ishita Aloni, Daniel Cappel
|Dec 28, 2016
Relative Binding Free Energy Calculations Applied to Protein Homology Models.Daniel Cappel, Michelle Lynn Hall, Eelke B Lenselink
Pageof 1
Frequent Collaborators
1 joint publications
Anatoly M Ruvinsky
1 joint publications
Steven K Albanese
1 joint publications
Wei Xie
1 joint publications
Daniel Worroll
1 joint publications
Andrea Rizzi
1 joint publications
Derek S Tan
1 joint publications
Christina S Leslie
1 joint publications
Dinshaw J Patel
1 joint publications
John D Chodera
1 joint publications
Michael G Kharas
