Casanovas J - Search Results

1

Synergistic approach to elucidate the incorporation of magnesium ions into hydroxyapatite.

Bertran O, del Valle LJ, Revilla-López G, Rivas M, Chaves G, Casas MT, Casanovas J, Turon P, Puiggalí J, Alemán C. Bertran O, et al. Among authors: casanovas j. Chemistry. 2015 Feb 2;21(6):2537-46. doi: 10.1002/chem.201405428. Epub 2014 Dec 12. Chemistry. 2015. PMID: 25504944

2

A quantum-mechanical study of the chain-length dependent stability of the extended and 3(10)-helix conformations in dehydroalanine oligopeptides.

Casanovas J, Alemán C. Casanovas J, et al. J Comput Aided Mol Des. 1994 Aug;8(4):441-8. doi: 10.1007/BF00125378. J Comput Aided Mol Des. 1994. PMID: 7815095

3

PAPQMD parametrization of molecular systems with cyclopropyl rings: conformational study of homopeptides constituted by 1-aminocyclopropane-1-carboxylic acid.

Alemán C, Casanovas J, Galembeck SE. Alemán C, et al. Among authors: casanovas j. J Comput Aided Mol Des. 1998 May;12(3):259-73. doi: 10.1023/a:1007908630431. J Comput Aided Mol Des. 1998. PMID: 9749369

4

Calculated and experimental NMR chemical shifts of p-menthane-3,9-diols. A combination of molecular dynamics and quantum mechanics to determine the structure and the solvent effects.

Casanovas J, Namba AM, León S, Aquino GL, da Silva GV, Alemán C. Casanovas J, et al. J Org Chem. 2001 Jun 1;66(11):3775-82. doi: 10.1021/jo0016982. J Org Chem. 2001. PMID: 11374997

5

The conformation of dehydroalanine in short homopeptides: molecular dynamics simulations of a 6-residue chain.

Zanuy D, Casanovas J, Alemán C. Zanuy D, et al. Among authors: casanovas j. Biophys Chem. 2002 Aug 2;98(3):301-12. doi: 10.1016/s0301-4622(02)00108-4. Biophys Chem. 2002. PMID: 12128182

6

On the protonation equilibrium for the benzimidazole derivative Hoechst 33258: an electronic molecular orbital study.

Alemán C, Adhikary A, Zanuy D, Casanovas J. Alemán C, et al. Among authors: casanovas j. J Biomol Struct Dyn. 2002 Oct;20(2):301-10. doi: 10.1080/07391102.2002.10506845. J Biomol Struct Dyn. 2002. PMID: 12354081

7

N-acetyl-N'-methylamide derivative of (2S,3S)-1-amino-2,3-diphenylcyclopropanecarboxylic acid: theoretical analysis of the conformational impact produced by the incorporation of the second phenyl group to the cyclopropane analogue of phenylalanine.

Casanovas J, Jiménez AI, Cativiela C, Pérez JJ, Alemán C. Casanovas J, et al. J Org Chem. 2003 Sep 5;68(18):7088-91. doi: 10.1021/jo034720a. J Org Chem. 2003. PMID: 12946154

8

Thermal stability of the secondary structure of poly(alpha,L-glutamate) in self-assembled complexes as studied by molecular dynamics in chloroform solution.

Zanuy D, Casanovas J, Alemán C. Zanuy D, et al. Among authors: casanovas j. J Am Chem Soc. 2004 Jan 28;126(3):704-5. doi: 10.1021/ja036803e. J Am Chem Soc. 2004. PMID: 14733530

9

Systematic evaluation of the conformational properties of aliphatic omega-hydroxy acids.

Alemán C, Casanovas J, Zanuy D, Hall HK Jr. Alemán C, et al. Among authors: casanovas j. J Org Chem. 2005 Apr 15;70(8):2950-6. doi: 10.1021/jo0478407. J Org Chem. 2005. PMID: 15822953

10

Acid-base and electronic structure-dependent properties of Hoechst 33342.

Alemán C, Namba AM, Casanovas J. Alemán C, et al. Among authors: casanovas j. J Biomol Struct Dyn. 2005 Aug;23(1):29-36. doi: 10.1080/07391102.2005.10507044. J Biomol Struct Dyn. 2005. PMID: 15918674

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