Computational Biophysics and Bioinformatics

Y. Peng, E. Alexov, and S. Basu
Structural Perspective on Revealing and Altering Molecular Mechanisms of Genetic Variants Linked with Diseases
2018
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N. Tajielyato, J. Alper, and E. Alexov
Modeling Tubulin E-Hooks Interactions with Dynein Microtubule Binding Domain
PROTEIN SCIENCE, 2018
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S. Pahari, L. Sun, S. Basu, and E. Alexov
DelPhiPKa: Including salt in the calculations and enabling polar residues to titrate
Proteins: Structure, Function, and Bioinformatics, 86(12), 1277-1283, 2018
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N. Tajielyato, L. Li, Y. Peng, J. Alper, and E. Alexov
E-hooks provide guidance and a soft landing for the microtubule binding domain of dynein
Scientific reports, 8(1), 1-10, 2018
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A. Chakravorty, Z. Jia, Y. Peng, N. Tajielyato, L. Wang, and E. Alexov
Gaussian-based smooth dielectric function: a surface-free approach for modeling macromolecular binding in solvents
Frontiers in molecular biosciences, 5, 25, 2018
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Z. Jia, L. Li, Y. Peng, F. Ding, and E. Alexov
The capricious electrostatic force: Revealing the signaling pathway in integrin α 2-I domain
Journal of Theoretical and Computational Chemistry, 17(3), 1840001, 2018
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S. C. Godar, H. Lovelace, J. Eller, M. Spencer, L. Li, G. Hamilton, H. Sanabria, E. Alexov, et al.
Single Molecule Study of Long-Range Electrostatic Binding Affinity of Cytoplasmic Dynein's Microtubule Binding Domain
Biophysical Journal, 114(3), 512a, 2018
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C. J. Spellicy, J. Norris, R. Bend, C. Bupp, P. Mester, T. Reynolds, J. Dean, Y. Peng, et al.
Key apoptotic genes APAF1 and CASP9 implicated in recurrent folate-resistant neural tube defects
European Journal of Human Genetics, 26(3), 420-427, 2018
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A. Chakravorty, Z. Jia, L. Li, S. Zhao, and E. Alexov
Reproducing the ensemble average polar solvation energy of a protein from a single structure: gaussian-based smooth dielectric function for macromolecular modeling
Journal of chemical theory and computation, 14(2), 1020-1032, 2018
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Y. Peng, R. Myers, W. Zhang, and E. Alexov
Computational investigation of the missense mutations in DHCR7 gene associated with Smith-Lemli-Opitz syndrome
International journal of molecular sciences, 19(1), 141, 2018
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Y. Peng, L. Sun, Z. Jia, L. Li, and E. Alexov
Predicting protein--DNA binding free energy change upon missense mutations using modified MM/PBSA approach: SAMPDI webserver
Bioinformatics, 34(5), 779-786, 2018
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Computational Biophysics and Bioinformatics

Professor Emil Alexov Group

2018