Aviyente V - Search Results

1

Binding of Phosphate Species to Ca²⁺ and Mg²⁺ in Aqueous Solution.

Koca Fındık B, Jafari M, Song LF, Li Z, Aviyente V, Merz KM Jr. Koca Fındık B, et al. Among authors: aviyente v. J Chem Theory Comput. 2024 May 28;20(10):4298-4307. doi: 10.1021/acs.jctc.4c00218. Epub 2024 May 8. J Chem Theory Comput. 2024. PMID: 38718258 Free PMC article.

2

Origins of boat or chair preferences in the Ireland-Claisen rearrangements of cyclohexenyl esters: a theoretical study.

Khaledy MM, Kalani MY, Khuong KS, Houk KN, Aviyente V, Neier R, Soldermann N, Velker J. Khaledy MM, et al. Among authors: aviyente v. J Org Chem. 2003 Jan 24;68(2):572-7. doi: 10.1021/jo020595b. J Org Chem. 2003. PMID: 12530884

3

Quorum-sensing inhibitor potential of trans-anethole aganist Pseudomonas aeruginosa.

Hançer Aydemir D, Çifci G, Aviyente V, Boşgelmez-Tinaz G. Hançer Aydemir D, et al. Among authors: aviyente v. J Appl Microbiol. 2018 Sep;125(3):731-739. doi: 10.1111/jam.13892. Epub 2018 Jun 26. J Appl Microbiol. 2018. PMID: 29694695

4

Deamidation of asparagine residues: direct hydrolysis versus succinimide-mediated deamidation mechanisms.

Catak S, Monard G, Aviyente V, Ruiz-López MF. Catak S, et al. Among authors: aviyente v. J Phys Chem A. 2009 Feb 12;113(6):1111-20. doi: 10.1021/jp808597v. J Phys Chem A. 2009. PMID: 19152321

5

Lead tetraacetate mediated one-pot multistage transformations: theoretical studies on the diverging behavior in the Hajos-Parrish and Wieland-Miescher series.

Unaleroglu C, Aviyente V, Arseniyadis S. Unaleroglu C, et al. Among authors: aviyente v. J Org Chem. 2002 Apr 19;67(8):2447-52. doi: 10.1021/jo010848l. J Org Chem. 2002. PMID: 11950286

6

Local vibrational mode analysis of ion-solvent and solvent-solvent interactions for hydrated Ca²⁺ clusters.

Delgado AAA, Sethio D, Munar I, Aviyente V, Kraka E. Delgado AAA, et al. Among authors: aviyente v. J Chem Phys. 2020 Dec 14;153(22):224303. doi: 10.1063/5.0034765. J Chem Phys. 2020. PMID: 33317306

7

SAMPL7 blind challenge: quantum-mechanical prediction of partition coefficients and acid dissociation constants for small drug-like molecules.

Fındık BK, Haslak ZP, Arslan E, Aviyente V. Fındık BK, et al. Among authors: aviyente v. J Comput Aided Mol Des. 2021 Jul;35(7):841-851. doi: 10.1007/s10822-021-00402-9. Epub 2021 Jun 24. J Comput Aided Mol Des. 2021. PMID: 34164769

8

A blind SAMPL6 challenge: insight into the octanol-water partition coefficients of drug-like molecules via a DFT approach.

Arslan E, Findik BK, Aviyente V. Arslan E, et al. Among authors: aviyente v. J Comput Aided Mol Des. 2020 Apr;34(4):463-470. doi: 10.1007/s10822-020-00284-3. Epub 2020 Jan 14. J Comput Aided Mol Des. 2020. PMID: 31939104

9

Quantum Mechanical Prediction of Dissociation Constants for Thiazol-2-imine Derivatives.

Arslan E, Haslak ZP, Monard G, Dogan I, Aviyente V. Arslan E, et al. Among authors: aviyente v. J Chem Inf Model. 2023 May 22;63(10):2992-3004. doi: 10.1021/acs.jcim.2c01468. Epub 2023 May 1. J Chem Inf Model. 2023. PMID: 37126823 Free PMC article.

10

Origins of the substituent effects in the aldol condensation of axially chiral thiohydantoins: a computational study.

Goksel Carpa N, Ozerdem Z, Dogan I, Haslak ZP, Aviyente V. Goksel Carpa N, et al. Among authors: aviyente v. Org Biomol Chem. 2024 Dec 20. doi: 10.1039/d4ob01904k. Online ahead of print. Org Biomol Chem. 2024. PMID: 39704562

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