Khavrutskii IV - Search Results

1

Dengue virus antibody database: Systematically linking serotype-specificity with epitope mapping in dengue virus.

Chaudhury S, Gromowski GD, Ripoll DR, Khavrutskii IV, Desai V, Wallqvist A. Chaudhury S, et al. Among authors: khavrutskii iv. PLoS Negl Trop Dis. 2017 Feb 21;11(2):e0005395. doi: 10.1371/journal.pntd.0005395. eCollection 2017 Feb. PLoS Negl Trop Dis. 2017. PMID: 28222130 Free PMC article.

2

Modeling the Role of Epitope Arrangement on Antibody Binding Stoichiometry in Flaviviruses.

Ripoll DR, Khavrutskii I, Wallqvist A, Chaudhury S. Ripoll DR, et al. Biophys J. 2016 Oct 18;111(8):1641-1654. doi: 10.1016/j.bpj.2016.09.003. Biophys J. 2016. PMID: 27760352 Free PMC article.

3

BRILIA: Integrated Tool for High-Throughput Annotation and Lineage Tree Assembly of B-Cell Repertoires.

Lee DW, Khavrutskii IV, Wallqvist A, Bavari S, Cooper CL, Chaudhury S. Lee DW, et al. Among authors: khavrutskii iv. Front Immunol. 2017 Jan 17;7:681. doi: 10.3389/fimmu.2016.00681. eCollection 2016. Front Immunol. 2017. PMID: 28144239 Free PMC article.

4

Computing Relative Free Energies of Solvation using Single Reference Thermodynamic Integration Augmented with Hamiltonian Replica Exchange.

Khavrutskii IV, Wallqvist A. Khavrutskii IV, et al. J Chem Theory Comput. 2010 Nov 9;6(11):3427-3441. doi: 10.1021/ct1003302. J Chem Theory Comput. 2010. PMID: 21151738 Free PMC article.

5

Improved Binding Free Energy Predictions from Single-Reference Thermodynamic Integration Augmented with Hamiltonian Replica Exchange.

Khavrutskii IV, Wallqvist A. Khavrutskii IV, et al. J Chem Theory Comput. 2011 Sep 13;7(9):3001-3011. doi: 10.1021/ct2003786. J Chem Theory Comput. 2011. PMID: 22046108 Free PMC article.

6

Quantitative predictions of binding free energy changes in drug-resistant influenza neuraminidase.

Ripoll DR, Khavrutskii IV, Chaudhury S, Liu J, Kuschner RA, Wallqvist A, Reifman J. Ripoll DR, et al. Among authors: khavrutskii iv. PLoS Comput Biol. 2012;8(8):e1002665. doi: 10.1371/journal.pcbi.1002665. Epub 2012 Aug 30. PLoS Comput Biol. 2012. PMID: 22956900 Free PMC article.

7

Exploring chemical reaction mechanisms through harmonic Fourier beads path optimization.

Khavrutskii IV, Smith JB, Wallqvist A. Khavrutskii IV, et al. J Chem Phys. 2013 Oct 28;139(16):165104. doi: 10.1063/1.4826470. J Chem Phys. 2013. PMID: 24182085

8

Quantitative Analysis of Repertoire-Scale Immunoglobulin Properties in Vaccine-Induced B-Cell Responses.

Khavrutskii IV, Chaudhury S, Stronsky SM, Lee DW, Benko JG, Wallqvist A, Bavari S, Cooper CL. Khavrutskii IV, et al. Front Immunol. 2017 Aug 14;8:910. doi: 10.3389/fimmu.2017.00910. eCollection 2017. Front Immunol. 2017. PMID: 28855898 Free PMC article.

9

A reaction path study of the catalysis and inhibition of the Bacillus anthracis CapD γ-glutamyl transpeptidase.

Khavrutskii IV, Legler PM, Friedlander AM, Wallqvist A. Khavrutskii IV, et al. Biochemistry. 2014 Nov 11;53(44):6954-67. doi: 10.1021/bi500623c. Epub 2014 Oct 31. Biochemistry. 2014. PMID: 25334088

10

Probing the donor and acceptor substrate specificity of the γ-glutamyl transpeptidase.

Hu X, Legler PM, Khavrutskii I, Scorpio A, Compton JR, Robertson KL, Friedlander AM, Wallqvist A. Hu X, et al. Biochemistry. 2012 Feb 14;51(6):1199-212. doi: 10.1021/bi200987b. Epub 2012 Feb 2. Biochemistry. 2012. PMID: 22257032

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