Wolfgang Sippl

According to our database1, Wolfgang Sippl authored at least 18 papers between 2000 and 2014.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Other 

Links

Homepages:

On csauthors.net:

Bibliography

2014
Application of Docking and QM/MM-GBSA Rescoring to Screen for Novel Myt1 Kinase Inhibitors.
Journal of Chemical Information and Modeling, 2014

Virtual Screening of PRK1 Inhibitors: Ensemble Docking, Rescoring Using Binding Free Energy Calculation and QSAR Model Development.
Journal of Chemical Information and Modeling, 2014

Molecular Modeling of Potential Anticancer Agents from African Medicinal Plants.
Journal of Chemical Information and Modeling, 2014

Discovery of Inhibitors of Schistosoma mansoni HDAC8 by Combining Homology Modeling, Virtual Screening, and in Vitro Validation.
Journal of Chemical Information and Modeling, 2014

2013
ParaDockS - an open-source framework for molecular docking: implementation of target-class-specific scoring methods.
J. Cheminformatics, 2013

Ligand-based and structure-based design of novel histone demethylase inhibitors.
J. Cheminformatics, 2013

2012
Postprocessing of molecular docking poses using binding free energy calculations.
J. Cheminformatics, 2012

Development of target-biased scoring functions for protein-ligand docking.
J. Cheminformatics, 2012

ParaDockS - an open source framework for molecular docking.
J. Cheminformatics, 2012

2011
Docking and virtual screening of novel inhibitors for mono-ADP-ribosylating toxins.
J. Cheminformatics, 2011

PARADOCKS - a framework for molecular docking.
J. Cheminformatics, 2011

Application of biasing-potential replica exchange simulations for loop modeling and refinement of proteins in explicit solvent.
J. Cheminformatics, 2011

2010
Postprocessing of Protein-Ligand Docking Poses Using Linear Response MM-PB/SA: Application to Wee1 Kinase Inhibitors.
Journal of Chemical Information and Modeling, 2010

ParaDockS: A Framework for Molecular Docking with Population-Based Metaheuristics.
Journal of Chemical Information and Modeling, 2010

2007
Generation of a homology model of the human histamine H3 receptor for ligand docking and pharmacophore-based screening.
Journal of Computer-Aided Molecular Design, 2007

2002
Development of biologically active compounds by combining 3D QSAR and structure-based design methods.
Journal of Computer-Aided Molecular Design, 2002

2001
Structure-based 3D QSAR and design of novel acetylcholinesterase inhibitors.
Journal of Computer-Aided Molecular Design, 2001

2000
Receptor-based 3D QSAR analysis of estrogen receptor ligands - merging the accuracy of receptor-based alignments with the computational efficiency of ligand-based methods.
Journal of Computer-Aided Molecular Design, 2000


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