Daniel A. Gschwend

Most-cited papers

1. Orientational sampling and rigid-body minimization in molecular docking revisited: On-the-fly optimization and degeneracy removal

   Daniel A. Gschwend, I. Kuntz

   1996J. Comput. Aided Mol. Des.67 citations

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2. New molecular shape descriptors: Application in database screening

   A. Good, Todd J. A. Ewing, Daniel A. Gschwend, I. Kuntz

   1995J. Comput. Aided Mol. Des.56 citations

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3. Analysis and optimization of structure-based virtual screening protocols. (3). New methods and old problems in scoring function design.

   Ryan Smith, R. Hubbard, Daniel A. Gschwend, A. Leach +1 more

   2003Journal of Molecular Graphics and Modelling30 citations

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4. Molecular modeling of G-protein coupled receptor kinase 2: Docking and biochemical evaluation of inhibitors

   M. Kassack, P. Högger, Daniel A. Gschwend, K. Kameyama +3 more

   2000AAPS PharmSci18 citations Open access

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5. ArQiologist: An Integrated Decision Support Tool for Lead Optimization

   Atipat Rojnuckarin, Daniel A. Gschwend, S. Rotstein, D. Hartsough

   2005Journal of Chemical Information and Modeling13 citations

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6. ArQiologist: An Integrated Decision Support Tool for Lead Optimization.

   Atipat Rojnuckarin, Daniel A. Gschwend, S. Rotstein, D. Hartsough

   20050 citations

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