Alexov E - Search Results

1

Gaussian-Based Smooth Dielectric Function: A Surface-Free Approach for Modeling Macromolecular Binding in Solvents.

Chakravorty A, Jia Z, Peng Y, Tajielyato N, Wang L, Alexov E. Chakravorty A, et al. Among authors: alexov e. Front Mol Biosci. 2018 Mar 27;5:25. doi: 10.3389/fmolb.2018.00025. eCollection 2018. Front Mol Biosci. 2018. PMID: 29637074 Free PMC article.

2

On the Dielectric "Constant" of Proteins: Smooth Dielectric Function for Macromolecular Modeling and Its Implementation in DelPhi.

Li L, Li C, Zhang Z, Alexov E. Li L, et al. Among authors: alexov e. J Chem Theory Comput. 2013 Apr 9;9(4):2126-2136. doi: 10.1021/ct400065j. Epub 2013 Mar 13. J Chem Theory Comput. 2013. PMID: 23585741 Free PMC article.

3

On the Modeling of Polar Component of Solvation Energy using Smooth Gaussian-Based Dielectric Function.

Li L, Li C, Alexov E. Li L, et al. Among authors: alexov e. J Theor Comput Chem. 2014 May;13(3):10.1142/S0219633614400021. doi: 10.1142/S0219633614400021. J Theor Comput Chem. 2014. PMID: 25018579 Free PMC article.

4

On the energy components governing molecular recognition in the framework of continuum approaches.

Li L, Wang L, Alexov E. Li L, et al. Among authors: alexov e. Front Mol Biosci. 2015 Mar 6;2:5. doi: 10.3389/fmolb.2015.00005. eCollection 2015. Front Mol Biosci. 2015. PMID: 25988173 Free PMC article. Review.

5

pKa predictions for proteins, RNAs, and DNAs with the Gaussian dielectric function using DelPhi pKa.

Wang L, Li L, Alexov E. Wang L, et al. Among authors: alexov e. Proteins. 2015 Dec;83(12):2186-97. doi: 10.1002/prot.24935. Epub 2015 Oct 16. Proteins. 2015. PMID: 26408449 Free PMC article.

6

Mutations in the KDM5C ARID Domain and Their Plausible Association with Syndromic Claes-Jensen-Type Disease.

Peng Y, Suryadi J, Yang Y, Kucukkal TG, Cao W, Alexov E. Peng Y, et al. Among authors: alexov e. Int J Mol Sci. 2015 Nov 13;16(11):27270-87. doi: 10.3390/ijms161126022. Int J Mol Sci. 2015. PMID: 26580603 Free PMC article.

7

Investigating the linkage between disease-causing amino acid variants and their effect on protein stability and binding.

Peng Y, Alexov E. Peng Y, et al. Among authors: alexov e. Proteins. 2016 Feb;84(2):232-9. doi: 10.1002/prot.24968. Epub 2016 Jan 11. Proteins. 2016. PMID: 26650512 Free PMC article.

8

Revealing the Effects of Missense Mutations Causing Snyder-Robinson Syndrome on the Stability and Dimerization of Spermine Synthase.

Peng Y, Norris J, Schwartz C, Alexov E. Peng Y, et al. Among authors: alexov e. Int J Mol Sci. 2016 Jan 8;17(1):77. doi: 10.3390/ijms17010077. Int J Mol Sci. 2016. PMID: 26761001 Free PMC article.

9

Cofactors-loaded quaternary structure of lysine-specific demethylase 5C (KDM5C) protein: Computational model.

Peng Y, Alexov E. Peng Y, et al. Among authors: alexov e. Proteins. 2016 Dec;84(12):1797-1809. doi: 10.1002/prot.25162. Epub 2016 Oct 1. Proteins. 2016. PMID: 27696497 Free PMC article.

10

Computational investigation of proton transfer, pKa shifts and pH-optimum of protein-DNA and protein-RNA complexes.

Peng Y, Alexov E. Peng Y, et al. Among authors: alexov e. Proteins. 2017 Feb;85(2):282-295. doi: 10.1002/prot.25221. Epub 2017 Jan 5. Proteins. 2017. PMID: 27936518 Free PMC article.

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