Ortiz-Sanchez JM - Search Results

1

Identification of potential small molecule binding pockets on Rho family GTPases.

Ortiz-Sanchez JM, Nichols SE, Sayyah J, Brown JH, McCammon JA, Grant BJ. Ortiz-Sanchez JM, et al. PLoS One. 2012;7(7):e40809. doi: 10.1371/journal.pone.0040809. Epub 2012 Jul 16. PLoS One. 2012. PMID: 22815826 Free PMC article.

2

Thermodynamic integration to predict host-guest binding affinities.

Lawrenz M, Wereszczynski J, Ortiz-Sánchez JM, Nichols SE, McCammon JA. Lawrenz M, et al. J Comput Aided Mol Des. 2012 May;26(5):569-76. doi: 10.1007/s10822-012-9542-5. Epub 2012 Feb 16. J Comput Aided Mol Des. 2012. PMID: 22350568 Free PMC article.

3

Molecular dynamics simulation study of conformational changes of transcription factor TFIIS during RNA polymerase II transcriptional arrest and reactivation.

Eun C, Ortiz-Sánchez JM, Da L, Wang D, McCammon JA. Eun C, et al. Among authors: ortiz sanchez jm. PLoS One. 2014 May 19;9(5):e97975. doi: 10.1371/journal.pone.0097975. eCollection 2014. PLoS One. 2014. PMID: 24842057 Free PMC article.

4

Exploring the Photophysical Properties of Molecular Systems Using Excited State Accelerated ab Initio Molecular Dynamics.

Ortiz-Sánchez JM, Bucher D, Pierce LC, Markwick PR, McCammon JA. Ortiz-Sánchez JM, et al. J Chem Theory Comput. 2012 Aug 14;8(8):2752-2761. doi: 10.1021/ct200740r. Epub 2012 Jun 28. J Chem Theory Comput. 2012. PMID: 22904696 Free PMC article.

5

On the Role of Dewetting Transitions in Host-Guest Binding Free Energy Calculations.

Rogers KE, Ortiz-Sánchez JM, Baron R, Fajer M, de Oliveira CA, McCammon JA. Rogers KE, et al. J Chem Theory Comput. 2013 Jan 8;9(1):46-53. doi: 10.1021/ct300515n. Epub 2012 Oct 26. J Chem Theory Comput. 2013. PMID: 23316123 Free PMC article.

6

Ultrafast Spectroscopy of Hydroxy-Substituted Azobenzenes in Water.

Steinwand S, Halbritter T, Rastädter D, Ortiz-Sánchez JM, Burghardt I, Heckel A, Wachtveitl J. Steinwand S, et al. Among authors: ortiz sanchez jm. Chemistry. 2015 Oct 26;21(44):15720-31. doi: 10.1002/chem.201501863. Epub 2015 Sep 8. Chemistry. 2015. PMID: 26345463

7

Electronic-structure and quantum dynamical study of the photochromism of the aromatic Schiff base salicylideneaniline.

Ortiz-Sánchez JM, Gelabert R, Moreno M, Lluch JM. Ortiz-Sánchez JM, et al. J Chem Phys. 2008 Dec 7;129(21):214308. doi: 10.1063/1.3032215. J Chem Phys. 2008. PMID: 19063562

8

Theoretical study on the excited-state intramolecular proton transfer in the aromatic schiff base salicylidene methylamine: an electronic structure and quantum dynamical approach.

Ortiz-Sanchez JM, Gelabert R, Moreno M, Lluch JM. Ortiz-Sanchez JM, et al. J Phys Chem A. 2006 Apr 13;110(14):4649-56. doi: 10.1021/jp0604600. J Phys Chem A. 2006. PMID: 16599431

9

A comparative study on the photochemistry of two bipyridyl derivatives: [2,2'-bipyridyl]-3,3'-diamine and [2,2'-bipyridyl]-3,3'-diol.

Ortiz-Sánchez JM, Gelabert R, Moreno M, Lluch JM. Ortiz-Sánchez JM, et al. Chemphyschem. 2007 Jun 4;8(8):1199-206. doi: 10.1002/cphc.200600771. Chemphyschem. 2007. PMID: 17471481

10

Electronic and quantum dynamical insight into the ultrafast proton transfer of 1-hydroxy-2-acetonaphthone.

Ortiz-Sánchez JM, Gelabert R, Moreno M, Lluch JM. Ortiz-Sánchez JM, et al. J Chem Phys. 2007 Aug 28;127(8):084318. doi: 10.1063/1.2756530. J Chem Phys. 2007. PMID: 17764259

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