E-LIB Suche - Ergebnisse für: Cachau, Raul E.

1

The upcoming subatomic resolution revolution:

Cachau, Raul E ; Zhu, Jianghai ; Nicklaus, Marc C
Current Opinion in Structural Biology. 58 (2019) - p. 53-58 , 2019

Link: https://doi.org/10.1016/..

2

A novel pathway of LPS uptake through syndecan-1 leading to..:

Yokoyama, Shigetoshi ; Cai, Yan ; Murata, Miyuki...
eLife. 7 (2018) - p. , 2018

Link: https://doi.org/10.7554/..

3

Conformational energy range of ligands in protein crystal s..:

Peach, Megan L. ; Cachau, Raul E. ; Nicklaus, Marc C.
Journal of Molecular Recognition. 30 (2017) 8 - p. , 2017

Link: https://doi.org/10.1002/..

4

PDB Ligand Conformational Energies Calculated Quantum-Mecha..:

Sitzmann, Markus ; Weidlich, Iwona E. ; Filippov, Igor V....
Journal of Chemical Information and Modeling. 52 (2012) 3 - p. 739-756 , 2012

Link: https://doi.org/10.1021/..

5

Study of Interaction Energies between the PAMAM Dendrimer a..:

Avila-Salas, Fabián ; Sandoval, Claudia ; Caballero, Julio...
The Journal of Physical Chemistry B. 116 (2012) 7 - p. 2031-2039 , 2012

Link: https://doi.org/10.1021/..

6

Nanoinformatics: developing new computing applications for ..:

Maojo, Victor ; Fritts, Martin ; Martin-Sanchez, Fernando...
Computing. 94 (2012) 6 - p. 521-539 , 2012

Link: https://doi.org/10.1007/..

7

Supramolecular complexes of quantum dots and a polyamidoami..:

Geraldo, Daniela A. ; Duran-Lara, Esteban F. ; Aguayo, Daniel...
Analytical and Bioanalytical Chemistry. 400 (2011) 2 - p. 483-492 , 2011

Link: https://doi.org/10.1007/..

8

Regioselective epoxide ring-opening using boron trifluoride..:

Saenz Méndez, Patricia ; Cachau, Raúl E. ; Seoane, Gustavo.
Journal of Molecular Structure: THEOCHEM. 904 (2009) 1-3 - p. 21-27 , 2009

Link: https://doi.org/10.1016/..

9

Metal Ions-Stimulated Iron Oxidation in Hydroxylases Facili..:

Kaczmarek, Monika ; Cachau, Raul E. ; Topol, Igor A....
Toxicological Sciences. 107 (2008) 2 - p. 394-403 , 2008

Link: https://doi.org/10.1093/..

10

Towards a consensus on datasets and evaluation metrics for ..:

Greenbaum, Jason A. ; Andersen, Pernille Haste ; Blythe, Martin...
Journal of Molecular Recognition. 20 (2007) 2 - p. 75-82 , 2007

Link: https://doi.org/10.1002/..

11

Quantum Chemical Modeling of Reaction Mechanism for 2-Oxogl..:

Topol, Igor A. ; Nemukhin, Alexander V. ; Salnikow, Konstantin...
The Journal of Physical Chemistry A. 110 (2006) 12 - p. 4223-4228 , 2006

Link: https://doi.org/10.1021/..

12

A New Perspective in the Lewis Acid Catalyzed Ring Opening ..:

Saenz, Patricia ; Cachau, Raúl E. ; Seoane, Gustavo..
The Journal of Physical Chemistry A. 110 (2006) 41 - p. 11734-11751 , 2006

Link: https://doi.org/10.1021/..

13

Comparison of large basis set DFT and MP2 calculations in t..:

Kieninger, Martina ; Cachau, Raúl E. ; Oberhammer, Heinz.
International Journal of Quantum Chemistry. 107 (2006) 2 - p. 403-417 , 2006

Link: https://doi.org/10.1002/..

14

QM/MM modeling the Ras–GAP catalyzed hydrolysis of guanosin..:

Grigorenko, Bella L. ; Nemukhin, Alexander V. ; Topol, Igor A...
Proteins: Structure, Function, and Bioinformatics. 60 (2005) 3 - p. 495-503 , 2005

Link: https://doi.org/10.1002/..

15

Computational study of a transition state analog of phospho..:

Grigorenko, Bella L. ; Nemukhin, Alexander V. ; Cachau, Raul E...
Journal of Molecular Modeling. 11 (2005) 6 - p. 503-508 , 2005

Link: https://doi.org/10.1007/..