Daniel A. Gschwend

New molecular shape descriptors: Application in database screening

Andrew C. Good, Todd J. A. Ewing, Daniel A. Gschwend, 1995, J. Comput. Aided Mol. Des..

ArQiologist: An Integrated Decision Support Tool for Lead Optimization

Daniel A. Gschwend, Sergio H. Rotstein, Atipat Rojnuckarin, 2005, J. Chem. Inf. Model..

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

Daniel A. Gschwend, Irwin D. Kuntz, I. Kuntz, 1996, J. Comput. Aided Mol. Des..

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

Daniel A. Gschwend, K. Kameyama, W. Sadee, 2000, AAPS PharmSci.

Molecular docking towards drug discovery

Daniel A. Gschwend, I D Kuntz, I. Kuntz, 1996, Journal of molecular recognition : JMR.

Specificity in structure‐based drug design: Identification of a novel, selective inhibitor of Pneumocystis carinii dihydrofolate reductase

Daniel A. Gschwend, I. Kuntz, W. Sirawaraporn, 1997, Proteins.

Orientational sampling and rigid‐body minimization in molecular docking

Daniel A. Gschwend, I. Kuntz, E. Meng, 1993, Proteins.

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

Daniel A. Gschwend, Andrew C Good, Roderick E Hubbard, 2003, Journal of molecular graphics & modelling.