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Daniel Cappel

6PUBLICATIONS

15CO-AUTHORS

Computational chemistryBioinformatic methods developmentMedical mycologyGlycoconjugatesStatistical mechanics in chemistry

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Publications (6)

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|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

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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

Frequent Collaborators

1 joint publications

Anatoly M Ruvinsky

1 joint publications

Steven K Albanese

1 joint publications

Wei Xie

1 joint publications

Daniel Worroll

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