Daniel A. Gschwend

Orientational sampling and rigid‐body minimization in molecular docking

Elaine C. Meng, Daniel A. Gschwend, Jeffrey M. Blaney et al. · Proteins Structure Function and Bioinformatics · 1993 · 164 citations

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

Daniel A. Gschwend, Irwin D. Kuntz · Journal of Computer-Aided Molecular Design · 1996 · 84 citations

Rigid-body Minimization, Orientational Sampling, Engineering +7

New molecular shape descriptors: Application in database screening

Andrew C. Good, Todd Ewing, Daniel A. Gschwend et al. · Journal of Computer-Aided Molecular Design · 1995 · 63 citations

Image Analysis, Database Screening, Engineering +10

Specificity in structure-based drug design: identification of a novel, selective inhibitor of Pneumocystis carinii dihydrofolate reductase.

Daniel A. Gschwend, Worachart Sirawaraporn, Daniel V. Santi et al. · PubMed · 1997 · 45 citations

Pharmaceutical Science, Drug Target, P. Carinii Dhfr +19

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

Daniel A. Gschwend, Worachart Sirawaraporn, Daniel V. Santi et al. · Proteins Structure Function and Bioinformatics · 1997 · 38 citations

Drug Target, P. Carinii Dhfr, Chemical Biology +16