Wolfgang Sippl

Publication Activity (10 Years)

Years Active: 2000-2024
Publications (10 Years): 4

Top Topics

Virtual Screening

Molecular Dynamics

Top Venues

J. Chem. Inf. Model.

Comput. Biol. Medicine

J. Comput. Aided Mol. Des.

Publications

Christopher Vorreiter, Dina Robaa, Wolfgang Sippl
Exploring Aromatic Cage Flexibility Using Cosolvent Molecular Dynamics Simulations─An In-Silico Case Study of Tudor Domains. J. Chem. Inf. Model. 64 (11) (2024)
Fady Baselious, Dina Robaa, Wolfgang Sippl
Utilization of AlphaFold models for drug discovery: Feasibility and challenges. Histone deacetylase 11 as a case study. Comput. Biol. Medicine 167 (2023)
Narges Cheshmazar, Salar Hemmati, Maryam Hamzeh-Mivehroud, Babak Sokouti, Matthes Zessin, Mike Schutkowski, Wolfgang Sippl, Hojjatollah Nozad Charoudeh, Siavoush Dastmalchi
Design Strategies. J. Chem. Inf. Model. 62 (10) (2022)
Chiara Luise, Dina Robaa, Wolfgang Sippl
Exploring aromatic cage flexibility of the histone methyllysine reader protein Spindlin1 and its impact on binding mode prediction: an in silico study. J. Comput. Aided Mol. Des. 35 (6) (2021)
Inna Slynko, Michael Scharfe, Tobias Rumpf, Julia Eib, Eric Metzger, Roland Schüle, Manfred Jung, Wolfgang Sippl
Virtual Screening of PRK1 Inhibitors: Ensemble Docking, Rescoring Using Binding Free Energy Calculation and QSAR Model Development. J. Chem. Inf. Model. 54 (1) (2014)
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
Molecular Modeling of Potential Anticancer Agents from African Medicinal Plants. J. Chem. Inf. Model. 54 (9) (2014)
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
HDAC8 by Combining Homology Modeling, Virtual Screening, and in Vitro Validation. J. Chem. Inf. Model. 54 (10) (2014)
Kanin Wichapong, Alexander Rohe, Charlott Platzer, Inna Slynko, Frank Erdmann, Matthias Schmidt, Wolfgang Sippl
Application of Docking and QM/MM-GBSA Rescoring to Screen for Novel Myt1 Kinase Inhibitors. J. Chem. Inf. Model. 54 (3) (2014)
Luca Carlino, Martin Schmitt, Manfred Jung, Wolfgang Sippl
Ligand-based and structure-based design of novel histone demethylase inhibitors. J. Cheminformatics 5 (S-1) (2013)
Michael Scharfe, Martin Pippel, Wolfgang Sippl
ParaDockS - an open-source framework for molecular docking: implementation of target-class-specific scoring methods. J. Cheminformatics 5 (S-1) (2013)
Michael Scharfe, Martin Pippel, Wolfgang Sippl
Development of target-biased scoring functions for protein-ligand docking. J. Cheminformatics 4 (S-1) (2012)
Martin Pippel, Michael Scharfe, René Meier, Wolfgang Sippl
ParaDockS - an open source framework for molecular docking. J. Cheminformatics 4 (S-1) (2012)
Kanin Wichapong, Wolfgang Sippl
Postprocessing of molecular docking poses using binding free energy calculations. J. Cheminformatics 4 (S-1) (2012)
Michael Scharfe, Benjamin Maurer, Klaus Aktories, Manfred Jung, Wolfgang Sippl
Docking and virtual screening of novel inhibitors for mono-ADP-ribosylating toxins. J. Cheminformatics 3 (S-1) (2011)
Martin Pippel, René Meier, Wolfgang Sippl
PARADOCKS - a framework for molecular docking. J. Cheminformatics 3 (S-1) (2011)
Srinivasaraghavan Kannan, Wolfgang Sippl, Martin Zacharias
Application of biasing-potential replica exchange simulations for loop modeling and refinement of proteins in explicit solvent. J. Cheminformatics 3 (S-1) (2011)
Kanin Wichapong, Michael Lawson, Somsak Pianwanit, Sirirat Kokpol, Wolfgang Sippl
Postprocessing of Protein-Ligand Docking Poses Using Linear Response MM-PB/SA: Application to Wee1 Kinase Inhibitors. J. Chem. Inf. Model. 50 (9) (2010)
René Meier, Martin Pippel, Frank Brandt, Wolfgang Sippl, Carsten Baldauf
ParaDockS: A Framework for Molecular Docking with Population-Based Metaheuristics. J. Chem. Inf. Model. 50 (5) (2010)
Birgit Schlegel, Christian Laggner, René Meier, Thierry Langer, David Schnell, Roland Seifert, Holger Stark, Hans-Dieter Höltje, Wolfgang Sippl
receptor for ligand docking and pharmacophore-based screening. J. Comput. Aided Mol. Des. 21 (8) (2007)
Wolfgang Sippl
Development of biologically active compounds by combining 3D QSAR and structure-based design methods. J. Comput. Aided Mol. Des. 16 (11) (2002)
Wolfgang Sippl, Jean-Marie Contreras, Isabelle Parrot, Yveline M. Rival, Camille G. Wermuth
Structure-based 3D QSAR and design of novel acetylcholinesterase inhibitors. J. Comput. Aided Mol. Des. 15 (5) (2001)
Wolfgang Sippl
Receptor-based 3D QSAR analysis of estrogen receptor ligands - merging the accuracy of receptor-based alignments with the computational efficiency of ligand-based methods. J. Comput. Aided Mol. Des. 14 (6) (2000)