Jennifer R. Krumrine
AstraZeneca (United States)(US)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Quantum, superfluid, helium dynamics, Inorganic Fluorides and Related Compounds
Most-Cited Works
- → Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine β-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency(2007)211 cited
- → Small Molecule Affinity Fingerprinting(2002)169 cited
- → Quantum molecular dynamics and spectral simulation of a boron impurity in solid para-hydrogen(2000)32 cited
- → Principles and Methods of Docking and Ligand Design(2003)27 cited
- → 2,6-Disubstituted pyrazines and related analogs as NR2B site antagonists of the NMDA receptor with anti-depressant activity(2011)25 cited
- → De Novo Design of a Picomolar Nonbasic 5-HT1BReceptor Antagonist(2010)23 cited
- → Experimental and theoretical study of the electronic spectrum of the BAr2 complex: Transition to the excited valence B(2s2p2 2D) state(2000)15 cited
- → Statistical Tools for Virtual Screening(2005)11 cited
- → An ab initio based model for the simulation of multiple P2 atoms embedded in a cluster of spherical ligands, with application to Al in solid para-hydrogen(2002)2 cited
- → Calculation and application of activity discriminants in lead optimization(2010)2 cited