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ACS Omega
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April 13, 2022
Protein-Protein Binding Free Energy Predictions with the MM/PBSA Approach Complemented with the Gaussian-Based Method for Entropy Estimation
Shailesh Kumar Panday, Emil Alexov
Journal of Chemical Theory and Computation
|
November 16, 2020
Application and Comprehensive Analysis of Neighbor Approximated Information Theoretic Configurational Entropy Methods to Protein-Ligand Binding Cases
Shailesh Kumar Panday, Indira Ghosh
Protein Science : a Publication of the Protein Society
|
June 19, 2026
From extracellular entry to intracellular release: A water-assisted transport cycle for creatine in SLC6A8
Pitambar Poudel, Shailesh Kumar Panday, Emil Alexov
BMC Bioinformatics
|
May 6, 2018
ProLego: tool for extracting and visualizing topological modules in protein structures
Taushif Khan, Shailesh Kumar Panday, Indira Ghosh
International Journal of Molecular Sciences
|
January 13, 2021
SAAFEC-SEQ: A Sequence-Based Method for Predicting the Effect of Single Point Mutations on Protein Thermodynamic Stability
Gen Li, Shailesh Kumar Panday, Emil Alexov
Journal of Chemical Information and Modeling
|
December 24, 2025
Accurate and Scalable Continuum Electrostatics for Large Biomolecular Systems: The <i>pyDelPhi</i> Poisson-Boltzmann Framework
Shailesh Kumar Panday, Shan Zhao, Emil Alexov
Bioinformatics (Oxford, England)
|
August 3, 2021
SAMPDI-3D: predicting the effects of protein and DNA mutations on protein-DNA interactions
Gen Li, Shailesh Kumar Panday, Yunhui Peng, et al.
Journal of Computational Chemistry
|
October 30, 2024
On delivering polar solvation free energy of proteins from energy minimized structures using a regularized super-Gaussian Poisson-Boltzmann model
Shailesh Kumar Panday, Arghya Chakravorty, Shan Zhao, et al.
International Journal of Molecular Sciences
|
September 13, 2025
CDKL5 Deficiency Disorder: Revealing the Molecular Mechanism of Pathogenic Variants
Shamrat Kumar Paul, Shailesh Kumar Panday, Luigi Boccuto, et al.
Genes
|
January 25, 2025
Further Development of SAMPDI-3D: A Machine Learning Method for Predicting Binding Free Energy Changes Caused by Mutations in Either Protein or DNA
Prawin Rimal, Shamrat Kumar Paul, Shailesh Kumar Panday, et al.
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Search research articles
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Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
ACS Omega
|
April 13, 2022
Protein-Protein Binding Free Energy Predictions with the MM/PBSA Approach Complemented with the Gaussian-Based Method for Entropy Estimation
Shailesh Kumar Panday, Emil Alexov
Journal of Chemical Theory and Computation
|
November 16, 2020
Application and Comprehensive Analysis of Neighbor Approximated Information Theoretic Configurational Entropy Methods to Protein-Ligand Binding Cases
Shailesh Kumar Panday, Indira Ghosh
Protein Science : a Publication of the Protein Society
|
June 19, 2026
From extracellular entry to intracellular release: A water-assisted transport cycle for creatine in SLC6A8
Pitambar Poudel, Shailesh Kumar Panday, Emil Alexov
BMC Bioinformatics
|
May 6, 2018
ProLego: tool for extracting and visualizing topological modules in protein structures
Taushif Khan, Shailesh Kumar Panday, Indira Ghosh
International Journal of Molecular Sciences
|
January 13, 2021
SAAFEC-SEQ: A Sequence-Based Method for Predicting the Effect of Single Point Mutations on Protein Thermodynamic Stability
Gen Li, Shailesh Kumar Panday, Emil Alexov
Journal of Chemical Information and Modeling
|
December 24, 2025
Accurate and Scalable Continuum Electrostatics for Large Biomolecular Systems: The <i>pyDelPhi</i> Poisson-Boltzmann Framework
Shailesh Kumar Panday, Shan Zhao, Emil Alexov
Bioinformatics (Oxford, England)
|
August 3, 2021
SAMPDI-3D: predicting the effects of protein and DNA mutations on protein-DNA interactions
Gen Li, Shailesh Kumar Panday, Yunhui Peng, et al.
Journal of Computational Chemistry
|
October 30, 2024
On delivering polar solvation free energy of proteins from energy minimized structures using a regularized super-Gaussian Poisson-Boltzmann model
Shailesh Kumar Panday, Arghya Chakravorty, Shan Zhao, et al.
International Journal of Molecular Sciences
|
September 13, 2025
CDKL5 Deficiency Disorder: Revealing the Molecular Mechanism of Pathogenic Variants
Shamrat Kumar Paul, Shailesh Kumar Panday, Luigi Boccuto, et al.
Genes
|
January 25, 2025
Further Development of SAMPDI-3D: A Machine Learning Method for Predicting Binding Free Energy Changes Caused by Mutations in Either Protein or DNA
Prawin Rimal, Shamrat Kumar Paul, Shailesh Kumar Panday, et al.
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