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Daniel K Gehlhaar

Showing results (1-10 of 9) with videos related to

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Journal of Computer-Aided Molecular Design|August 16, 2024
FitScore: a fast machine learning-based score for 3D virtual screening enrichmentDaniel K Gehlhaar, Daniel J Mermelstein
Journal of Computer-Aided Molecular Design|June 5, 2025
Solvation and formal charge corrections to the Piecewise-Linear PotentialDaniel K Gehlhaar, Daniel J Mermelstein
Proteins|July 12, 2002
Monte Carlo simulations of the peptide recognition at the consensus binding site of the constant fragment of human immunoglobulin G: the energy landscape analysis of a hot spot at the intermolecular interfaceGennady M Verkhivker, Djamal Bouzida, Daniel K Gehlhaar, et al.
Proteins|October 1, 2003
Computational detection of the binding-site hot spot at the remodeled human growth hormone-receptor interfaceGennady M Verkhivker, Djamal Bouzida, Daniel K Gehlhaar, et al.
Current Opinion in Structural Biology|April 18, 2002
Complexity and simplicity of ligand-macromolecule interactions: the energy landscape perspectiveGennady M Verkhivker, Djamal Bouzida, Daniel K Gehlhaar, et al.
Proceedings of the National Academy of Sciences of the United States of America|April 17, 2003
Simulating disorder-order transitions in molecular recognition of unstructured proteins: where folding meets bindingGennady M Verkhivker, Djamal Bouzida, Daniel K Gehlhaar, et al.
Journal of Computational Chemistry|April 8, 2022
The Pfizer Crystal Structure Database: An essential tool for structure-based design at PfizerDaniel K Gehlhaar, Brock A Luty, Philip P Cheung, et al.
Journal of Medicinal Chemistry|January 5, 2002
Hierarchy of simulation models in predicting structure and energetics of the Src SH2 domain binding to tyrosyl phosphopeptidesGennady M Verkhivker, Djamal Bouzida, Daniel K Gehlhaar, et al.
Protein Engineering, Design & Selection : PEDS|September 27, 2012
Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalinKatarina S Midelfort, Rajesh Kumar, Seungil Han, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
Journal of Computer-Aided Molecular Design|August 16, 2024
FitScore: a fast machine learning-based score for 3D virtual screening enrichmentDaniel K Gehlhaar, Daniel J Mermelstein
Journal of Computer-Aided Molecular Design|June 5, 2025
Solvation and formal charge corrections to the Piecewise-Linear PotentialDaniel K Gehlhaar, Daniel J Mermelstein
Proteins|July 12, 2002
Monte Carlo simulations of the peptide recognition at the consensus binding site of the constant fragment of human immunoglobulin G: the energy landscape analysis of a hot spot at the intermolecular interfaceGennady M Verkhivker, Djamal Bouzida, Daniel K Gehlhaar, et al.
Proteins|October 1, 2003
Computational detection of the binding-site hot spot at the remodeled human growth hormone-receptor interfaceGennady M Verkhivker, Djamal Bouzida, Daniel K Gehlhaar, et al.
Current Opinion in Structural Biology|April 18, 2002
Complexity and simplicity of ligand-macromolecule interactions: the energy landscape perspectiveGennady M Verkhivker, Djamal Bouzida, Daniel K Gehlhaar, et al.
Proceedings of the National Academy of Sciences of the United States of America|April 17, 2003
Simulating disorder-order transitions in molecular recognition of unstructured proteins: where folding meets bindingGennady M Verkhivker, Djamal Bouzida, Daniel K Gehlhaar, et al.
Journal of Computational Chemistry|April 8, 2022
The Pfizer Crystal Structure Database: An essential tool for structure-based design at PfizerDaniel K Gehlhaar, Brock A Luty, Philip P Cheung, et al.
Journal of Medicinal Chemistry|January 5, 2002
Hierarchy of simulation models in predicting structure and energetics of the Src SH2 domain binding to tyrosyl phosphopeptidesGennady M Verkhivker, Djamal Bouzida, Daniel K Gehlhaar, et al.
Protein Engineering, Design & Selection : PEDS|September 27, 2012
Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalinKatarina S Midelfort, Rajesh Kumar, Seungil Han, et al.
Pageof 1