Daniel K. Gehlhaar

According to our database, Daniel K. Gehlhaar authored at least 8 papers between 1995 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

FitScore: a fast machine learning-based score for 3D virtual screening enrichment.

Daniel K. Gehlhaar, Daniel J. Mermelstein

J. Comput. Aided Mol. Des., December, 2024

2022

The Pfizer Crystal Structure Database: An essential tool for structure-based design at Pfizer.

Daniel K. Gehlhaar, Brock A. Luty, Philip P. Cheung, Andy H. Litman, Robert M. Owen, Peter W. Rose

J. Comput. Chem., 2022

2007

Evaluation of a Published in Silico Model and Construction of a Novel Bayesian Model for Predicting Phospholipidosis Inducing Potential.

Dennis J. Pelletier, Daniel K. Gehlhaar, Anne Tilloy-Ellul, Theodore O. Johnson, Nigel Greene

J. Chem. Inf. Model., 2007

2000

Deciphering common failures in molecular docking of ligand-protein complexes.

Gennady Verkhivker, Djamal Bouzida, Daniel K. Gehlhaar, Paul A. Rejto, Sandra Arthurs, Anthony B. Colson, Stephan T. Freer, Veda Larson, Brock A. Luty, Tami Marrone, Peter W. Rose

J. Comput. Aided Mol. Des., 2000

1999

Thermodynamics and Kinetics of Ligand-Protein Binding Studied with the Weighted Histogram Analysis Method and Simulated Annealing.

Djamal Bouzida, Sandra Arthurs, Anthony B. Colson, Stephan T. Freer, Daniel K. Gehlhaar, Veda Larson, Brock A. Luty, Paul A. Rejto, Peter W. Rose, Gennady Verkhivker

Proceedings of the 4th Pacific Symposium on Biocomputing, 1999

1998

Fully Automated and Rapic Flexible Docking of Inhibitors Covalently Bound to Serine Proteases.

Daniel K. Gehlhaar, Djamal Bouzida, Paul A. Rejto

Proceedings of the Evolutionary Programming VII, 7th International Conference, 1998

1996

Tuning Evolutionary Programming for Conformationally Flexible Molecular Docking.

Daniel K. Gehlhaar, David B. Fogel

Proceedings of the Fifth Annual Conference on Evolutionary Programming, 1996

1995

Docking Conformationally Flexible Small Molecules into a Protein Binding Site through Evolutionary Programming.

Daniel K. Gehlhaar, Gennady Verkhivker, Paul A. Rejto, David B. Fogel, Lawrence J. Fogel, Stephan T. Freer

Proceedings of the Fourth Annual Conference on Evolutionary Programming, 1995