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Computational Biophysics and Bioinformatics

Professor Emil Alexov Group

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Journal Articles by M. Petukh


C. Li, Z. Jia, A. Chakravorty, S. Pahari, Y. Peng, S. Basu, M. Koirala, S. K. Panday, et al.
DelPhi suite: New developments and review of functionalities
Journal of computational chemistry, 40(28), 2502-2508, 2019
RIS, BibTex
M. Petukh, L. Dai, and E. Alexov
SAAMBE: webserver to predict the charge of binding free energy caused by amino acids mutations
International journal of molecular sciences, 17(4), 547, 2016
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I. Getov, M. Petukh, and E. Alexov
SAAFEC: predicting the effect of single point mutations on protein folding free energy using a knowledge-modified MM/PBSA approach
International journal of molecular sciences, 17(4), 512, 2016
RIS, BibTex
M. Petukh, J. Morrison, M. Li, A. Panchenko, and E. Alexov
SAMBE: The New Webserver for Predicting the Effect of nssNP on the Protein-Protein Binding Free Energy
Biophysical Journal, 108(2), 157a-158a, 2015
RIS, BibTex
M. Petukh, M. Zhang, and E. Alexov
Statistical investigation of surface bound ions and further development of BION server to include p H and salt dependence
Journal of computational chemistry, 36(32), 2381-2393, 2015
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M. Petukh, M. Li, and E. Alexov
Predicting binding free energy change caused by point mutations with knowledge-modified MM/PBSA method
PLoS computational biology, 11(7), e1004276, 2015
RIS, BibTex
M. Petukh, T. G. Kucukkal, and E. Alexov
On human disease-causing amino acid variants: Statistical study of sequence and structural patterns
Human mutation, 36(5), 524-534, 2015
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T. G. Kucukkal, M. Petukh, L. Li, and E. Alexov
Structural and physico-chemical effects of disease and non-disease nsSNPs on proteins
Current opinion in structural biology, 32, 18-24, 2015
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B. Campbell, M. Petukh, E. Alexov, and C. Li
On the electrostatic properties of homodimeric proteins
Journal of Theoretical and Computational Chemistry, 13(3), 1440007, 2014
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M. Petukh and E. Alexov
Ion binding to biological macromolecules
Asian journal of physics: an international quarterly research journal, 23(5), 735, 2014
RIS, BibTex
M. Petukh, B. Wu, S. Stefl, N. Smith, D. Hyde-Volpe, L. Wang, and E. Alexov
Chronic beryllium disease: revealing the role of beryllium ion and small peptides binding to HLA-DP2
PLoS One, 9(11), e111604, 2014
RIS, BibTex
T. Kimmett, N. Smith, S. Witham, M. Petukh, S. Sarkar, and E. Alexov
ProBLM web server: protein and membrane placement and orientation package
Computational and mathematical methods in medicine, 2014, 2014
RIS, BibTex
M. Li, M. Petukh, E. Alexov, and A. R. Panchenko
Predicting the impact of missense mutations on protein--protein binding affinity
Journal of chemical theory and computation, 10(4), 1770-1780, 2014
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L. Boccuto, K. Aoki, H. Flanagan-Steet, C.-F. Chen, X. Fan, F. Bartel, M. Petukh, A. Pittman, et al.
A mutation in a ganglioside biosynthetic enzyme, ST3GAL5, results in salt \& pepper syndrome, a neurocutaneous disorder with altered glycolipid and glycoprotein glycosylation
Human molecular genetics, 23(2), 418-433, 2014
RIS, BibTex
C. Li, M. Petukh, L. Li, and E. Alexov
Multi-Level and Interleaved Poisson-Boltzmann (MLIPB) Method for Parallel Computing of the Electrostatics and its Application in Delphi
Biophysical Journal, 104(2), 507a, 2013
RIS, BibTex
M. Petukh, C. Li, and E. Alexov
Predicting non-specifically bound ions: Application to BION webserver and beryllium disease
Biophysical Journal, 104(2), 506a, 2013
RIS, BibTex
M. Petukh, T. Kimmet, and E. Alexov
BION web server: predicting non-specifically bound surface ions
Bioinformatics, 29(6), 805-806, 2013
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C. Li, M. Petukh, L. Li, and E. Alexov
Continuous development of schemes for parallel computing of the electrostatics in biological systems: Implementation in DelPhi
Journal of computational chemistry, 34(22), 1949-1960, 2013
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Z. Zhang, S. Witham, M. Petukh, G. Moroy, M. Miteva, Y. Ikeguchi, and E. Alexov
A rational free energy-based approach to understanding and targeting disease-causing missense mutations
Journal of the American Medical Informatics Association, 20(4), 643-651, 2013
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Z. Zhang, Y. Zheng, M. Petukh, A. Pegg, Y. Ikeguchi, and E. Alexov
Enhancing human spermine synthase activity by engineered mutations
PLoS Comput Biol, 9(2), e1002924, 2013
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C. Li, L. Li, M. Petukh, and E. Alexov
Progress in developing Poisson-Boltzmann equation solvers
Computational and Mathematical Biophysics, 1(1), 42-62, 2013
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M. Petukh, S. Stefl, and E. Alexov
The role of protonation states in ligand-receptor recognition and binding
Current pharmaceutical design, 19(23), 4182-4190, 2013
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S. Stefl, H. Nishi, M. Petukh, A. R. Panchenko, and E. Alexov
Molecular mechanisms of disease-causing missense mutations
Journal of molecular biology, 425(21), 3919-3936, 2013
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M. Petukh, M. Zhenirovskyy, C. Li, L. Li, L. Wang, and E. Alexov
Predicting nonspecific ion binding using DelPhi
Biophysical journal, 102(12), 2885-2893, 2012
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L. Li, C. Li, S. Sarkar, J. Zhang, S. Witham, Z. Zhang, L. Wang, N. Smith, et al.
DelPhi: a comprehensive suite for DelPhi software and associated resources
BMC biophysics, 5(1), 1-11, 2012
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Conference Papers


I. Getov, M. Petukh, and E. Alexov
Predicting folding free energy changes caused by single point mutations via combined usage of MM-PBSA method and biophysical characteristics
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015
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M. Petukh, A. Panchenko, and E. Alexov
Electrostatics plays significant role in changes of the protein-protein affinity due to missense mutations
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013
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