Daniel K. Gehlhaar

发表

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

David B. Fogel, Lawrence J. Fogel, Gennady Verkhivker, 1995, Evolutionary Programming.

Deciphering common failures in molecular docking of ligand-protein complexes

Gennady Verkhivker, Peter W. Rose, Paul A. Rejto, 2000, J. Comput. Aided Mol. Des..

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

Gennady Verkhivker, Peter W. Rose, Paul A. Rejto, 1999, Pacific Symposium on Biocomputing.

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

Nigel Greene, Daniel K. Gehlhaar, Dennis J. Pelletier, 2007, J. Chem. Inf. Model..

New trends in computational structure prediction of ligand-protein complexes for receptor-based drug design

Paul A. Rejto, Daniel K. Gehlhaar, Stephan T. Freer, 1997 .

Tuning Evolutionary Programming for Conformationally Flexible Molecular Docking

David B. Fogel, Daniel K. Gehlhaar, D. Fogel, 1996, Evolutionary Programming.

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

Paul A. Rejto, Daniel K. Gehlhaar, Djamal Bouzida, 1998, Evolutionary Programming.

Easy Does It: Reducing Complexity in Ligand-Protein Docking

Paul A. Rejto, Daniel K. Gehlhaar, Djamal Bouzida, 2000 .

Parallel simulated tempering dynamics of ligand–protein binding with ensembles of protein conformations

Peter W. Rose, Paul A. Rejto, Daniel K. Gehlhaar, 2001 .

Reduced Dimensionality in Ligand—Protein Structure Prediction: Covalent Inhibitors of Serine Proteases and Design of Site-Directed Combinatorial Libraries

Paul A. Rejto, Daniel K. Gehlhaar, Djamal Bouzida, 1999 .