D. Schmidt

Cosolvent-Enhanced Sampling and Unbiased Identification of Cryptic Pockets Suitable for Structure-Based Drug Design.

Christopher L. McClendon, H. Gohlke, M. Boehm, 2019, Journal of chemical theory and computation.

Similarity- and Substructure-Based Development of β2-Adrenergic Receptor Ligands Based on Unusual Scaffolds.

P. Kolb, D. Schmidt, J. Baker, 2017, ACS medicinal chemistry letters.

Surprising Non-Additivity of Methyl-Groups in Drug-Kinase Interaction.

G. Klebe, A. Heine, H. Gohlke, 2019, ACS chemical biology.

Analyzing Kinase Similarity in Small Molecule and Protein Structural Space to Explore the Limits of Multi-Target Screening

P. Kolb, Andrea Volkamer, Dominique Sydow, 2021, Molecules.

Drugging specific conformational states of GPCRs: challenges and opportunities for computational chemistry.

Peter Kolb, Jana Selent, Denis Schmidt, 2016, Drug discovery today.

Converging a Knowledge-Based Scoring Function: DrugScore2018

Holger Gohlke, Denis Schmidt, Christopher Pfleger, 2018, J. Chem. Inf. Model..

11th German Conference on Chemoinformatics (GCC 2015)

Timothy Clark, Jonathan W. Essex, Peter Kolb, 2016, J. Cheminformatics.

Large-scale docking approaches to the kinome

Peter Kolb, Denis Schmidt, P. Kolb, 2014, Journal of Cheminformatics.

Identifying modulators of CXC receptors 3 and 4 with tailored selectivity using multi-target docking.

Peter Kolb, Viachaslau Bernat, Denis Schmidt, 2015, ACS chemical biology.