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Disambiguation of "Klebe, Gerhard"

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PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations.

, , , , , , and . Nucleic Acids Research, 35 (Web-Server-Issue): 522-525 (2007)

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Univ. -Prof. Dr. Gerhard Busse University of Stuttgart

Prof. Dr. -Ing. Gerhard Egbers University of Stuttgart

Florian Kleber University of Stuttgart

Hon. -Prof. Dr. -Ing. Gerhard Gumpoltsberger University of Stuttgart

Hon. -Prof. Dr. -Ing. Gerhard Bröckel University of Stuttgart

 

Other publications of authors with the same name

DSX: A Knowledge-Based Scoring Function for the Assessment of Protein-Ligand Complexes., and . Journal of Chemical Information and Modeling, 51 (10): 2731-2745 (2011)A 3D QSAR Study on a Set of Dopamine D4 Receptor Antagonists., , , and . Journal of Chemical Information and Computer Sciences, 43 (3): 1020-1027 (2003)Methodological developments and strategies for a fast flexible superposition of drug-size molecules., , and . Journal of Computer-Aided Molecular Design, 13 (1): 35-49 (1999)Molecular Docking Screens Using Comparative Models of Proteins., , , , , and . Journal of Chemical Information and Modeling, 49 (11): 2512-2527 (2009)PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations., , , , , , and . Nucleic Acids Research, 35 (Web-Server-Issue): 522-525 (2007)Durch die Berechnung von Moleküleigenschaften zum gezielten Entwurf von neuen Wirkstoffen.. Supercomputer, volume 211 of Informatik-Fachberichte, page 147-160. Springer, (1989)Local Clique Merging: An Extension of the Maximum Common Subgraph Measure with Applications in Structural Bioinformatics., , and . Algorithms from and for Nature and Life, Springer, (2013)Comparative Molecular Similarity Index Analysis (CoMSIA) to study hydrogen-bonding properties and to score combinatorial libraries., and . Journal of Computer-Aided Molecular Design, 13 (1): 1-10 (1999)Thermodynamics of protein-ligand interactions as a reference for computational analysis: how to assess accuracy, reliability and relevance of experimental data., and . Journal of Computer-Aided Molecular Design, 29 (9): 867-883 (2015)LigpKa - a database of pKa values for small molecule ligands designed for the use in structure-based pKa calculations., , , , and . J. Cheminformatics, 3 (S-1): 21 (2011)