검색결과 : 4건
| No. | Article |
|---|---|
| 1 |
Unbinding Kinetics of a p38 MAP Kinase Type II Inhibitor from Metadynamics Simulations Casasnovas R, Limongelli V, Tiwary P, Carloni P, Parrinello M Journal of the American Chemical Society, 139(13), 4780, 2017 |
| 2 |
C-H Activation in Pyridoxal-5'-phosphate and Pyridoxamine-5'-phosphate Schiff Bases: Effect of Metal Chelation. A Computational Study Casasnovas R, Frau J, Ortega-Castro J, Donoso J, Munoz F Journal of Physical Chemistry B, 117(8), 2339, 2013 |
| 3 |
High- and Low-Spin Fe(III) Complexes of Various AGE Inhibitors Ortega-Castro J, Frau J, Casasnovas R, Fernandez D, Donoso J, Munoz F Journal of Physical Chemistry A, 116(11), 2961, 2012 |
| 4 |
C-H Activation in Pyridoxal-5'-phosphate Schiff Bases: The Role of the Imine Nitrogen. A Combined Experimental and Computational Study Casasnovas R, Adrover M, Ortega-Castro J, Frau J, Donoso J, Munoz F Journal of Physical Chemistry B, 116(35), 10665, 2012 |