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Computational Biophysics and Bioinformatics

Professor Emil Alexov Group

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Journal Articles by S. Pahari


G. Li, S. Pahari, A. K. Murthy, S. Liang, R. Fragoza, H. Yu, and E. Alexov
SAAMBE-SEQ: a sequence-based method for predicting mutation effect on protein--protein binding affinity
Bioinformatics, 2020
RIS, BibTex
S. Pahari, G. Li, A. K. Murthy, S. Liang, R. Fragoza, H. Yu, and E. Alexov
SAAMBE-3D: Predicting effect of mutations on protein--protein interactions
International journal of molecular sciences, 21(7), 2563, 2020
RIS, BibTex
A. Chakravorty, S. Panday, S. Pahari, S. Zhao, and E. Alexov
Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi
Journal of chemical information and modeling, 60(4), 2229-2246, 2020
RIS, BibTex
S. K. Panday, M. H. Shashikala, M. Koirala, S. Pahari, A. Chakvorty, Y. Peng, L. Li, Z. Jia, et al.
Modeling electrostatics in molecular biology: A tutorial of DelPhi and associated resources [Article v1. 0]
Living Journal of Computational Molecular Science, 1(2), 10841, 2019
RIS, BibTex
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
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S. Pahari, L. Sun, and E. Alexov
PKAD: a database of experimentally measured pKa values of ionizable groups in proteins
Database, 2019, 2019
RIS, BibTex
S. Pahari, L. Sun, and E. Alexov
Surface-Free Protocol for Computing PKA's (DelPhiPKa): Applications to Protein-Protein Interactions
Biophysical Journal, 116(3), 166a, 2019
RIS, BibTex
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
RIS, BibTex

Conference Papers


S. Pahari and E. Alexov
Modeling pKa without solute-water boundary: DelPhiPKa and its applications to protein-protein binding
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019
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