Enhancement and Deployment of the Quantum Mechanical NMR Pose Scoring Method - Kenneth Merz

Abstract

Funding Agency

Agency: National Institute of Health (NIH)
Institute: National Institute of General Medical Sciences (NIGMS)
Type: Small Business Technology Transfer (STTR) Grants - Phase II (R42)
Project #: 5R42GM075636-03
Application #: 7383869
Study Section: Special Emphasis Panel (ZRG1-MDCN-L (10))
Program Officer: Preusch, Peter C

Project Start: 2006-09-01
Project End: 2010-02-28
Budget Start: 2008-03-01
Budget End: 2010-02-28
Support Year: 3
Fiscal Year: 2008
Total Cost: $445,320
Indirect Cost

Institution

Name: Quantumbio, Inc.
Department
Type
DUNS #: 172210572

City: State College
State: PA
Country: United States
Zip Code: 16803

Related projects


NIH 2008 R42 GM	Enhancement and Deployment of the Quantum Mechanical NMR Pose Scoring Method Merz, Kenneth M. / Quantumbio, Inc.	$445,320
NIH 2007 R42 GM	Enhancement and Deployment of the Quantum Mechanical NMR Pose Scoring Method Merz, Kenneth M. / Quantumbio, Inc.	$433,795
NIH 2006 R42 GM	Enhancement and Deployment of the Quantum Mechanical NMR Pose Scoring Method Merz, Kenneth M. / Quantumbio, Inc.	$99,323

Publications

Fu, Zheng; Li, Xue; Miao, Yipu et al. (2013) Conformational analysis and parallel QM/MM X-ray refinement of protein bound anti-Alzheimer drug donepezil. J Chem Theory Comput 9:1686-1693

Wang, Bing; Westerhoff, Lance M; Merz Jr, Kenneth M (2007) A critical assessment of the performance of protein-ligand scoring functions based on NMR chemical shift perturbations. J Med Chem 50:5128-34

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