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Computational Biophysics and Bioinformatics

Professor Emil Alexov Group

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Journal Articles by S. K. Panday


S. Panday and E. Alexov
Protein–Protein Binding Free Energy Predictions with the MM/PBSA Approach Complemented with the Gaussian-Based Method for Entropy Estimation
ACS omega, 7(13), 11057-11067, 2022
RIS, BibTex
G. Li, S. Panday, Y. Peng, and E. Alexov
SAMPDI-3D: predicting the effects of protein and DNA mutations on protein-DNA interactions.
Bioinformatics (Oxford, England), 2021
RIS, BibTex
G. Li, S. K. Panday, and E. Alexov
SAAFEC-SEQ: A Sequence-Based Method for Predicting the Effect of Single Point Mutations on Protein Thermodynamic Stability
International Journal of Molecular Sciences, 22(2), 606, 2021
RIS, BibTex
H. Shashikala, A. Chakravorty, S. K. Panday, and E. Alexov
BION-2: Predicting Positions of Non-Specifically Bound Ions on Protein Surface by a Gaussian-Based Treatment of Electrostatics
International Journal of Molecular Sciences, 22(1), 272, 2021
RIS, BibTex
G. Li, S. Panday, Y. Peng, and E. Alexov
SAMPDI-3D: predicting the effects of protein and DNA mutations on protein–DNA interactions
Bioinformatics, 37(21), 3760-3765, 2021
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, A. Chakravorty, S. Zhao, and E. Alexov
Reproducing ensemble averaged electrostatics with Super-Gaussian-based smooth dielectric function: application to electrostatic component of binding energy of protein complexes
Communications in Information and Systems, 19(4), 2019
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
RIS, BibTex
 
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