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Not currently recruitingFunding unknown
- Works count
- 69
- Citation count
- 12,013
- H-index
- 31
- i10-index
- 46
Research interests
Computer Science
Biochemistry, Genetics and Molecular Biology
Chemistry
Materials Science
Computational Drug Discovery Methods
Protein Structure and Dynamics
Photochemistry and Electron Transfer Studies
Enzyme Structure and Function
Photosynthetic Processes and Mechanisms
Publications
Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field
Journal of the American Chemical Society · 2015 · 10.1021/ja512751q
Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects
Journal of Medicinal Chemistry · 2005 · 10.1021/jm050540c
Integrated Modeling Program, Applied Chemical Theory (IMPACT)
Journal of Computational Chemistry · 2005 · 10.1002/jcc.20292
Use of an Induced Fit Receptor Structure in Virtual Screening
Chemical Biology & Drug Design · 2005 · 10.1111/j.1747-0285.2005.00327.x
Nature of biological electron transfer
Nature · 1992 · 10.1038/355796a0
Current projects
No projects listed.