Wolfgang Sippl

According to our database, Wolfgang Sippl authored at least 22 papers between 2000 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Exploring Aromatic Cage Flexibility Using Cosolvent Molecular Dynamics Simulations─An In-Silico Case Study of Tudor Domains.

Christopher Vorreiter, Dina Robaa, Wolfgang Sippl

J. Chem. Inf. Model., 2024

2023

Utilization of AlphaFold models for drug discovery: Feasibility and challenges. Histone deacetylase 11 as a case study.

Fady Baselious, Dina Robaa, Wolfgang Sippl

Comput. Biol. Medicine, December, 2023

2022

Development of New Inhibitors of HDAC1-3 Enzymes Aided by <i>In Silico</i> Design Strategies.

Narges Cheshmazar, Salar Hemmati, Maryam Hamzeh-Mivehroud, Babak Sokouti, Matthes Zessin, Mike Schutkowski, Wolfgang Sippl, Hojjatollah Nozad Charoudeh, Siavoush Dastmalchi

J. Chem. Inf. Model., 2022

2021

Exploring aromatic cage flexibility of the histone methyllysine reader protein Spindlin1 and its impact on binding mode prediction: an in silico study.

Chiara Luise, Dina Robaa, Wolfgang Sippl

J. Comput. Aided Mol. Des., 2021

2014

Application of Docking and QM/MM-GBSA Rescoring to Screen for Novel Myt1 Kinase Inhibitors.

Kanin Wichapong, Alexander Rohe, Charlott Platzer, Inna Slynko, Frank Erdmann, Matthias Schmidt, Wolfgang Sippl

J. Chem. Inf. Model., 2014

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

Inna Slynko, Michael Scharfe, Tobias Rumpf, Julia Eib, Eric Metzger, Roland Schüle, Manfred Jung, Wolfgang Sippl

J. Chem. Inf. Model., 2014

Molecular Modeling of Potential Anticancer Agents from African Medicinal Plants.

Fidele Ntie-Kang, Justina Ngozi Nwodo, Akachukwu Ibezim, Conrad Veranso Simoben, Berin Karaman, Valery Fuh Ngwa, Wolfgang Sippl, Michael Umale Adikwu, Luc Meva'a Mbaze

J. Chem. Inf. Model., 2014

Discovery of Inhibitors of <i>Schistosoma mansoni</i> HDAC8 by Combining Homology Modeling, Virtual Screening, and in Vitro Validation.

Srinivasaraghavan Kannan, Jelena Melesina, Alexander-Thomas Hauser, Alokta Chakrabarti, Tino Heimburg, Karin Schmidtkunz, Alexandra Walter, Martin Marek, Raymond J. Pierce, Christophe Romier, Manfred Jung, Wolfgang Sippl

J. Chem. Inf. Model., 2014

2013

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

Michael Scharfe, Martin Pippel, Wolfgang Sippl

J. Cheminformatics, 2013

Ligand-based and structure-based design of novel histone demethylase inhibitors.

Luca Carlino, Martin Schmitt, Manfred Jung, Wolfgang Sippl

J. Cheminformatics, 2013

2012

Postprocessing of molecular docking poses using binding free energy calculations.

Kanin Wichapong, Wolfgang Sippl

J. Cheminformatics, 2012

Development of target-biased scoring functions for protein-ligand docking.

Michael Scharfe, Martin Pippel, Wolfgang Sippl

J. Cheminformatics, 2012

ParaDockS - an open source framework for molecular docking.

Martin Pippel, Michael Scharfe, René Meier, Wolfgang Sippl

J. Cheminformatics, 2012

2011

Docking and virtual screening of novel inhibitors for mono-ADP-ribosylating toxins.

Michael Scharfe, Benjamin Maurer, Klaus Aktories, Manfred Jung, Wolfgang Sippl

J. Cheminformatics, 2011

PARADOCKS - a framework for molecular docking.

Martin Pippel, René Meier, Wolfgang Sippl

J. Cheminformatics, 2011

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

Srinivasaraghavan Kannan, Wolfgang Sippl, Martin Zacharias

J. Cheminformatics, 2011

2010

Postprocessing of Protein-Ligand Docking Poses Using Linear Response MM-PB/SA: Application to Wee1 Kinase Inhibitors.

Kanin Wichapong, Michael Lawson, Somsak Pianwanit, Sirirat Kokpol, Wolfgang Sippl

J. Chem. Inf. Model., 2010

ParaDockS: A Framework for Molecular Docking with Population-Based Metaheuristics.

René Meier, Martin Pippel, Frank Brandt, Wolfgang Sippl, Carsten Baldauf

J. Chem. Inf. Model., 2010

2007

Generation of a homology model of the human histamine H₃ receptor for ligand docking and pharmacophore-based screening.

Birgit Schlegel, Christian Laggner, René Meier, Thierry Langer, David Schnell, Roland Seifert, Holger Stark, Hans-Dieter Höltje, Wolfgang Sippl

J. Comput. Aided Mol. Des., 2007

2002

Development of biologically active compounds by combining 3D QSAR and structure-based design methods.

Wolfgang Sippl

J. Comput. Aided Mol. Des., 2002

2001

Structure-based 3D QSAR and design of novel acetylcholinesterase inhibitors.

Wolfgang Sippl, Jean-Marie Contreras, Isabelle Parrot, Yveline M. Rival, Camille G. Wermuth

J. Comput. Aided Mol. Des., 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.

Wolfgang Sippl

J. Comput. Aided Mol. Des., 2000