Wolfgang Sippl

25 papers Journal 25

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Dona Flor and her two husbands: Discovery of novel HDAC6/AKT2 inhibitors for myeloid cancer treatment. Comput. Biol. Medicine Karoline B. Waitman, Holli-Joi Martin, Jorge A. E. G. Carlos, Rodolpho C. Braga, Vinicius Albuquerque Moreira de Souza, Cleber C. Melo-Filho, Sebastian Hilscher, Mônica F. Z. J. Toledo, Maurício T. Tavares, Letícia V. Costa-Lotufo, João A. Machado-Neto, Mike Schutkowski, Wolfgang Sippl, Thales Kronenberger, Vinicius M. Alves, Roberto Parise-Filho, Eugene N. Muratov
2025	J	`jnl`	HADDOCK-Guided modeling and molecular simulations of cereblon-based ternary complexes: Development of novel PROTACs for Ataxia telangiectasia and RAD3-Related (ATR) kinase. Comput. Biol. Medicine Anne-Christin Sarnow, Husam Nassar, Abdallah M. Alfayomy, Dina Robaa, Wolfgang Sippl
2025	J	`jnl`	In silico screening of a designed focused chemical space identifies novel alkyl hydrazides as potent HDAC11 inhibitors. Comput. Biol. Medicine Fady Baselious, Sebastian Hilscher, Lukas Handke, Cyril Barinka, Mike Schutkowski, Wolfgang Sippl
2024	J	`jnl`	Exploring Aromatic Cage Flexibility Using Cosolvent Molecular Dynamics Simulations─An In-Silico Case Study of Tudor Domains. J. Chem. Inf. Model. Christopher Vorreiter, Dina Robaa, Wolfgang Sippl
2023	J	`jnl`	Utilization of AlphaFold models for drug discovery: Feasibility and challenges. Histone deacetylase 11 as a case study. Comput. Biol. Medicine Fady Baselious, Dina Robaa, Wolfgang Sippl
2022	J	`jnl`	Development of New Inhibitors of HDAC1-3 Enzymes Aided by J. Chem. Inf. Model. Narges Cheshmazar, Salar Hemmati, Maryam Hamzeh-Mivehroud, Babak Sokouti, Matthes Zessin, Mike Schutkowski, Wolfgang Sippl, Hojjatollah Nozad Charoudeh, Siavoush Dastmalchi
2021	J	`jnl`	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. Chiara Luise, Dina Robaa, Wolfgang Sippl
2014	J	`jnl`	Application of Docking and QM/MM-GBSA Rescoring to Screen for Novel Myt1 Kinase Inhibitors. J. Chem. Inf. Model. Kanin Wichapong, Alexander Rohe, Charlott Platzer, Inna Slynko, Frank Erdmann, Matthias Schmidt, Wolfgang Sippl
2014	J	`jnl`	Discovery of Inhibitors of J. Chem. Inf. Model. 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
2014	J	`jnl`	Molecular Modeling of Potential Anticancer Agents from African Medicinal Plants. J. Chem. Inf. Model. 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
2014	J	`jnl`	Virtual Screening of PRK1 Inhibitors: Ensemble Docking, Rescoring Using Binding Free Energy Calculation and QSAR Model Development. J. Chem. Inf. Model. Inna Slynko, Michael Scharfe, Tobias Rumpf, Julia Eib, Eric Metzger, Roland Schüle, Manfred Jung, Wolfgang Sippl
2013	J	`jnl`	Ligand-based and structure-based design of novel histone demethylase inhibitors. J. Cheminformatics Luca Carlino, Martin Schmitt, Manfred Jung, Wolfgang Sippl
2013	J	`jnl`	ParaDockS - an open-source framework for molecular docking: implementation of target-class-specific scoring methods. J. Cheminformatics Michael Scharfe, Martin Pippel, Wolfgang Sippl
2012	J	`jnl`	Development of target-biased scoring functions for protein-ligand docking. J. Cheminformatics Michael Scharfe, Martin Pippel, Wolfgang Sippl
2012	J	`jnl`	ParaDockS - an open source framework for molecular docking. J. Cheminformatics Martin Pippel, Michael Scharfe, René Meier, Wolfgang Sippl
2012	J	`jnl`	Postprocessing of molecular docking poses using binding free energy calculations. J. Cheminformatics Kanin Wichapong, Wolfgang Sippl
2011	J	`jnl`	Application of biasing-potential replica exchange simulations for loop modeling and refinement of proteins in explicit solvent. J. Cheminformatics Srinivasaraghavan Kannan, Wolfgang Sippl, Martin Zacharias
2011	J	`jnl`	Docking and virtual screening of novel inhibitors for mono-ADP-ribosylating toxins. J. Cheminformatics Michael Scharfe, Benjamin Maurer, Klaus Aktories, Manfred Jung, Wolfgang Sippl
2011	J	`jnl`	PARADOCKS - a framework for molecular docking. J. Cheminformatics Martin Pippel, René Meier, Wolfgang Sippl
2010	J	`jnl`	ParaDockS: A Framework for Molecular Docking with Population-Based Metaheuristics. J. Chem. Inf. Model. René Meier, Martin Pippel, Frank Brandt, Wolfgang Sippl, Carsten Baldauf
2010	J	`jnl`	Postprocessing of Protein-Ligand Docking Poses Using Linear Response MM-PB/SA: Application to Wee1 Kinase Inhibitors. J. Chem. Inf. Model. Kanin Wichapong, Michael Lawson, Somsak Pianwanit, Sirirat Kokpol, Wolfgang Sippl
2007	J	`jnl`	Generation of a homology model of the human histamine H J. Comput. Aided Mol. Des. Birgit Schlegel, Christian Laggner, René Meier, Thierry Langer, David Schnell, Roland Seifert, Holger Stark, Hans-Dieter Höltje, Wolfgang Sippl
2002	J	`jnl`	Development of biologically active compounds by combining 3D QSAR and structure-based design methods. J. Comput. Aided Mol. Des. Wolfgang Sippl
2001	J	`jnl`	Structure-based 3D QSAR and design of novel acetylcholinesterase inhibitors. J. Comput. Aided Mol. Des. Wolfgang Sippl, Jean-Marie Contreras, Isabelle Parrot, Yveline M. Rival, Camille G. Wermuth
2000	J	`jnl`	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. Wolfgang Sippl