Publications by authors named "Daniel Cappel"

Claim this Profile
P
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, Thomas Steinbrecher

J Chem Inf Model· July 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
L
Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects.
Christina E M Schindler, Hannah Baumann, Andreas Blum, Dietrich Böse, Hans-Peter Buchstaller, Daniel Cappel

J Chem Inf Model· November 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy Simulations.
Daniel Cappel, Steven Jerome, Gerhard Hessler, Hans Matter

J Chem Inf Model· March 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Small-molecule targeting of MUSASHI RNA-binding activity in acute myeloid leukemia.
Gerard Minuesa, Steven K Albanese, Wei Xie, Yaniv Kazansky, Daniel Worroll, Daniel Cappel

Nat Commun· June 2019

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The Role of Bridging Water and Hydrogen Bonding as Key Determinants of Noncovalent Protein-Carbohydrate Recognition.
Anatoly M Ruvinsky, Ishita Aloni, Daniel Cappel, Chris Higgs, Kyle Marshall

ChemMedChem· December 2018

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Calculating Water Thermodynamics in the Binding Site of Proteins - Applications of WaterMap to Drug Discovery.
Daniel Cappel, Woody Sherman, Thijs Beuming

Curr Top Med Chem· September 2017

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Relative Binding Free Energy Calculations Applied to Protein Homology Models.
Daniel Cappel, Michelle Lynn Hall, Eelke B Lenselink, Thijs Beuming, Jun Qi

J Chem Inf Model· December 2016

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
1
11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.
Uli Fechner, Chris de Graaf, Andrew E Torda, Stefan Güssregen, Andreas Evers, Daniel Cappel

J Cheminform· April 2016

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
Accurate Binding Free Energy Predictions in Fragment Optimization.
Thomas B Steinbrecher, Markus Dahlgren, Daniel Cappel, Teng Lin, Lingle Wang

J Chem Inf Model· November 2015

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Exploring conformational search protocols for ligand-based virtual screening and 3-D QSAR modeling.
Daniel Cappel, Steven L Dixon, Woody Sherman, Jianxin Duan

J Comput Aided Mol Des· February 2015

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
O
Optimization of potent DFG-in inhibitors of platelet derived growth factor receptorβ (PDGF-Rβ) guided by water thermodynamics.
Rebecca Horbert, Boris Pinchuk, Eugen Johannes, Joachim Schlosser, Dorian Schmidt, Daniel Cappel

J Med Chem· January 2015

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
Molecular dynamics reveal binding mode of glutathionylspermidine by trypanothione synthetase.
Oliver Koch, Daniel Cappel, Monika Nocker, Timo Jäger, Leopold Flohé

PLoS One· September 2013

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
N
Novel Inverse Binding Mode of Indirubin Derivatives Yields Improved Selectivity for DYRK Kinases.
Vassilios Myrianthopoulos, Marina Kritsanida, Nicolas Gaboriaud-Kolar, Prokopios Magiatis, Yoan Ferandin, Daniel Cappel

ACS Med Chem Lett· January 2013

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
P
Probing the dynamic nature of water molecules and their influences on ligand binding in a model binding site.
Daniel Cappel, Rickard Wahlström, Ruth Brenk, Christoph A Sotriffer

J Chem Inf Model· October 2011

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
D
Direct estimate of the conjugative and hyperconjugative stabilization in diynes, dienes, and related compounds.
Daniel Cappel, Sandor Tüllmann, Andreas Krapp, Gernot Frenking

Angew Chem Int Ed Engl· June 2005

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis