Dengue virus antibody database: Systematically linking serotype-specificity with epitope mapping in dengue virus
Chaudhury, Sidhartha, Gromowski, Gregory D, Ripoll, Daniel R, Khavrutskii, Ilja V, Desai, Valmik, Wallqvist, Anders
Published in PLoS neglected tropical diseases (21.02.2017)
Published in PLoS neglected tropical diseases (21.02.2017)
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Journal Article
Structural and kinetic evidence of aging after organophosphate inhibition of human Cathepsin A
Bouknight, Kayla D., Jurkouich, Kayla M., Compton, Jaimee R., Khavrutskii, Ilja V., Guelta, Mark A., Harvey, Steven P., Legler, Patricia M.
Published in Biochemical pharmacology (01.07.2020)
Published in Biochemical pharmacology (01.07.2020)
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Journal Article
Free Energy for the Permeation of Na+ and Cl− Ions and Their Ion-Pair through a Zwitterionic Dimyristoyl Phosphatidylcholine Lipid Bilayer by Umbrella Integration with Harmonic Fourier Beads
Khavrutskii, Ilja V, Gorfe, Alemayehu A, Lu, Benzhuo, McCammon, J. Andrew
Published in Journal of the American Chemical Society (11.02.2009)
Published in Journal of the American Chemical Society (11.02.2009)
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Journal Article
Quantitative predictions of binding free energy changes in drug-resistant influenza neuraminidase
Ripoll, Daniel R, Khavrutskii, Ilja V, Chaudhury, Sidhartha, Liu, Jin, Kuschner, Robert A, Wallqvist, Anders, Reifman, Jaques
Published in PLoS computational biology (01.08.2012)
Published in PLoS computational biology (01.08.2012)
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Journal Article
Exploring chemical reaction mechanisms through harmonic Fourier beads path optimization
Khavrutskii, Ilja V, Smith, Jason B, Wallqvist, Anders
Published in The Journal of chemical physics (28.10.2013)
Published in The Journal of chemical physics (28.10.2013)
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Journal Article
Quantitative Analysis of Repertoire-Scale Immunoglobulin Properties in Vaccine-Induced B-Cell Responses
Khavrutskii, Ilja V, Chaudhury, Sidhartha, Stronsky, Sabrina M, Lee, Donald W, Benko, Jacqueline G, Wallqvist, Anders, Bavari, Sina, Cooper, Christopher L
Published in Frontiers in immunology (14.08.2017)
Published in Frontiers in immunology (14.08.2017)
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Journal Article
Harmonic Fourier beads method for studying rare events on rugged energy surfaces
Khavrutskii, Ilja V, Arora, Karunesh, Brooks, 3rd, Charles L
Published in The Journal of chemical physics (07.11.2006)
Published in The Journal of chemical physics (07.11.2006)
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Journal Article
Epoxidation of Unfunctionalized Olefins by Mn(salen) Catalyst Using Organic Peracids as Oxygen Source: A Theoretical Study
Khavrutskii, Ilja V., Musaev, Djamaladdin G., Morokuma, Keiji, Trost, Barry M.
Published in Proceedings of the National Academy of Sciences - PNAS (20.04.2004)
Published in Proceedings of the National Academy of Sciences - PNAS (20.04.2004)
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