Model Calculations of Protein-Water Systems anf of Long time Dynamics of Proteins. - Ingo Muegge; A. Irgens-Defregger; Ernst-Walter Knapp (Informatik in den Biowissenschaften, 1993)

Evaluation of docking/scoring approaches: A comparative study based on MMP3 inhibitors. - Sookhee Ha; Romana Andreani; Arthur Robbins; Ingo Muegge (J. Comput. Aided Mol. Des., 2000)

Effect of ligand volume correction on PMF scoring. - Ingo Muegge (J. Comput. Chem., 2001)

kScore: a novel machine learning approach that is not dependent on the data structure of the training set. - Scott Oloff; Ingo Muegge (J. Comput. Aided Mol. Des., 2007)

Torsion Angle Preference and Energetics of Small-Molecule Ligands Bound to Proteins. - Ming-Hong Hao; Omar Haq; Ingo Muegge (J. Chem. Inf. Model., 2007)

DemQSAR: predicting human volume of distribution and clearance of drugs. - Ozgur Demir-Kavuk; Jörg Bentzien; Ingo Muegge; Ernst-Walter Knapp (J. Comput. Aided Mol. Des., 2011)

Computer-aided drug design at Boehringer Ingelheim. - Ingo Muegge; Andreas Bergner; Jan M. Kriegl (J. Comput. Aided Mol. Des., 2017)

Kinase Crystal Miner: A Powerful Approach to Repurposing 3D Hinge Binding Fragments and Its Application to Finding Novel Bruton Tyrosine Kinase Inhibitors. - Prasenjit Mukherjee; Jörg Bentzien; Todd Bosanac; Wang Mao; Michael Burke; Ingo Muegge (J. Chem. Inf. Model., 2017)

In Silico Positional Analogue Scanning with Amber GPU-TI. - Yuan Hu 002; Ingo Muegge (J. Chem. Inf. Model., 2022)