Horta BAC - Search Results

1

On the development of a nucleophilic methylthiolation methodology.

Carvalho BBPP, Amaral AAP, de Castro PP, Ferreira FCM, Horta BAC, Amarante GW. Carvalho BBPP, et al. Among authors: horta bac. Org Biomol Chem. 2020 Jul 22;18(28):5420-5426. doi: 10.1039/d0ob01149e. Org Biomol Chem. 2020. PMID: 32696795

2

On the structure, interactions, and dynamics of bound VEGF.

Horta BA, Cirino JJ, de Alencastro RB. Horta BA, et al. J Mol Graph Model. 2008 Apr;26(7):1091-103. doi: 10.1016/j.jmgm.2007.10.001. Epub 2007 Oct 5. J Mol Graph Model. 2008. PMID: 18023381

3

Investigating the differential activation of vascular endothelial growth factor (VEGF) receptors.

Horta BA, Sodero AC, de Alencastro RB. Horta BA, et al. J Mol Graph Model. 2009 Oct;28(3):287-96. doi: 10.1016/j.jmgm.2009.08.007. Epub 2009 Aug 15. J Mol Graph Model. 2009. PMID: 19734078

4

New Polymorph Form of Dexamethasone Acetate.

Silva RPD, Ambrósio MFS, Piovesan LA, Freitas MCR, Aguiar DLM, Horta BAC, Epprecht EK, San Gil RADS, Visentin LDC. Silva RPD, et al. Among authors: horta bac. J Pharm Sci. 2018 Feb;107(2):672-681. doi: 10.1016/j.xphs.2017.10.001. Epub 2017 Oct 12. J Pharm Sci. 2018. PMID: 29031975

5

gmak: A Parameter-Space Mapping Strategy for Force-Field Calibration.

Gonçalves YMH, Horta BAC. Gonçalves YMH, et al. Among authors: horta bac. J Chem Theory Comput. 2023 Jan 12. doi: 10.1021/acs.jctc.2c00955. Online ahead of print. J Chem Theory Comput. 2023. PMID: 36634285

6

Comparison of the United- and All-Atom Representations of (Halo)alkanes Based on Two Condensed-Phase Force Fields Optimized against the Same Experimental Data Set.

Oliveira MP, Gonçalves YMH, Ol Gheta SK, Rieder SR, Horta BAC, Hünenberger PH. Oliveira MP, et al. Among authors: horta bac. J Chem Theory Comput. 2022 Nov 8;18(11):6757-6778. doi: 10.1021/acs.jctc.2c00524. Epub 2022 Oct 3. J Chem Theory Comput. 2022. PMID: 36190354 Free PMC article.

7

Revisiting the birth of NaCl crystals using molecular dynamics simulation.

Soares CR, Gonçalves YMH, Horta BAC, Barreto AG Jr, Tavares FW. Soares CR, et al. Among authors: horta bac. J Mol Graph Model. 2022 Sep;115:108202. doi: 10.1016/j.jmgm.2022.108202. Epub 2022 May 6. J Mol Graph Model. 2022. PMID: 35568006

8

Simultaneous parametrization of torsional and third-neighbor interaction terms in force-field development: The LLS-SC algorithm.

Gonçalves YMH, Kashefolgheta S, Oliveira MP, Hünenberger PH, Horta BAC. Gonçalves YMH, et al. Among authors: horta bac. J Comput Chem. 2022 Apr 5;43(9):644-653. doi: 10.1002/jcc.26819. Epub 2022 Feb 8. J Comput Chem. 2022. PMID: 35133016

9

Computer Modeling Explains the Structural Reasons for the Difference in Reactivity of Amine Transaminases Regarding Prochiral Methylketones.

Teixeira IS, Farias AB, Horta BAC, Milagre HMS, de Souza ROMA, Bornscheuer UT, Milagre CDF. Teixeira IS, et al. Among authors: horta bac. Int J Mol Sci. 2022 Jan 11;23(2):777. doi: 10.3390/ijms23020777. Int J Mol Sci. 2022. PMID: 35054965 Free PMC article.

10

pyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules.

Ramos MC, Quoika PK, Horta VAC, Dias DM, Costa EG, do Amaral JLM, Ribeiro LM, Liedl KR, Horta BAC. Ramos MC, et al. Among authors: horta bac. J Chem Inf Model. 2021 Apr 26;61(4):1539-1544. doi: 10.1021/acs.jcim.0c01438. Epub 2021 Apr 5. J Chem Inf Model. 2021. PMID: 33819017

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