Author of the publication

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

A QM-MM interface between CHARMM and TURBOMOLE: Implementation and application to systems in bulk phase and biologically active systems., , and . J. Comput. Chem., 24 (10): 1240-1249 (2003)Protease Inhibitors in View of Peptide Substrate Databases., , , , and . Journal of Chemical Information and Modeling, 56 (6): 1228-1235 (2016)Limits to molecular matched-pair analysis: the experimental uncertainty case., and . J. Cheminformatics, 6 (S-1): 6 (2014)Entropy in specificity and thermodynamics of binding.. J. Cheminformatics, 6 (S-1): 8 (2014)Strong Nonadditivity as a Key Structure-Activity Relationship Feature: Distinguishing Structural Changes from Assay Artifacts., , and . Journal of Chemical Information and Modeling, 55 (3): 483-494 (2015)Understanding Structure-Activity Relationships for Trypanosomal Cysteine Protease Inhibitors by Simulations and Free Energy Calculations., , , , , , and . J. Chem. Inf. Model., 59 (1): 137-148 (2019)Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization., , , , and . J. Chem. Inf. Model., 58 (5): 982-992 (2018)A GRID-Derived Water Network Stabilizes Molecular Dynamics Computer Simulations of a Protease., , and . Journal of Chemical Information and Modeling, 51 (11): 2860-2867 (2011)One Concept, Three Implementations of 3D Pharmacophore-Based Virtual Screening: Distinct Coverage of Chemical Search Space., , , , , , and . Journal of Chemical Information and Modeling, 50 (7): 1241-1247 (2010)How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information., , , , , , and . Journal of Chemical Information and Modeling, 49 (3): 678-692 (2009)