Publications by authors named "Shailesh Kumar Panday"

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CDKL5 Deficiency Disorder: Revealing the Molecular Mechanism of Pathogenic Variants.
Shamrat Kumar Paul, Shailesh Kumar Panday, Luigi Boccuto, Emil Alexov

Int J Mol Sci· August 2025

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Quantification and structure-function analysis of calpain-1 and calpain-2 protease subunit interactions.
Ivan Shapovalov, Prawin Rimal, Pitambar Poudel, Victoria Lewtas, Mathias Bell, Shailesh Kumar Panday

J Biol Chem· June 2025

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Screening for Small Molecules to Alter Calpain Proteolysis through Modulating Conformation Changes Induced by Heterodimerization.
Pitambar Poudel, Ivan Shapovalov, Shailesh Kumar Panday, Kazem Nouri, Peter L Davies

J Chem Inf Model· June 2025

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Assessing the predicted impact of single amino acid substitutions in calmodulin for CAGI6 challenges.
Paola Turina, Giuditta Dal Cortivo, Carlos A Enriquez Sandoval, Emil Alexov, David B Ascher, Shailesh Kumar Panday

Hum Genet· March 2025

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Assessing the predicted impact of single amino acid substitutions in MAPK proteins for CAGI6 challenges.
Paola Turina, Maria Petrosino, Carlos A Enriquez Sandoval, Leonore Novak, Alessandra Pasquo, Shailesh Kumar Panday

Hum Genet· March 2025

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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, Emil Alexov

J Comput Chem· January 2025

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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, Emil Alexov

Genes (Basel)· January 2025

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Genetic Variants Linked to Opioid Addiction: A Genome-Wide Association Study.
Shailesh Kumar Panday, Vijay Shankar, Rachel Ann Lyman, Emil Alexov

Int J Mol Sci· November 2024

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SAAMBE-MEM: a sequence-based method for predicting binding free energy change upon mutation in membrane protein-protein complexes.
Prawin Rimal, Shailesh Kumar Panday, Wang Xu, Yunhui Peng, Emil Alexov

Bioinformatics· September 2024

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Predicting the Effect of Single Mutations on Protein Stability and Binding with Respect to Types of Mutations.
Preeti Pandey, Shailesh Kumar Panday, Prawin Rimal, Nicolas Ancona, Emil Alexov

Int J Mol Sci· July 2023

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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

ACS Omega· April 2022

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SAMPDI-3D: predicting the effects of protein and DNA mutations on protein-DNA interactions.
Gen Li, Shailesh Kumar Panday, Yunhui Peng, Emil Alexov

Bioinformatics· November 2021

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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

Int J Mol Sci· January 2021

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Application and Comprehensive Analysis of Neighbor Approximated Information Theoretic Configurational Entropy Methods to Protein-Ligand Binding Cases.
Shailesh Kumar Panday, Indira Ghosh

J Chem Theory Comput· December 2020

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BION-2: Predicting Positions of Non-Specifically Bound Ions on Protein Surface by a Gaussian-Based Treatment of Electrostatics.
H B Mihiri Shashikala, Arghya Chakravorty, Shailesh Kumar Panday, Emil Alexov

Int J Mol Sci· December 2020

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DelPhi Suite: New Developments and Review of Functionalities.
Chuan Li, Zhe Jia, Arghya Chakravorty, Swagata Pahari, Yunhui Peng, Shailesh Kumar Panday

J Comput Chem· October 2019

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Coupling Supervised Molecular Dynamics (SuMD) with Entropy Estimations To Shine Light on the Stability of Multiple Binding Sites.
Shailesh Kumar Panday, Mattia Sturlese, Veronica Salmaso, Indira Ghosh, Stefano Moro

ACS Med Chem Lett· April 2019

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ProLego: tool for extracting and visualizing topological modules in protein structures.
Taushif Khan, Shailesh Kumar Panday, Indira Ghosh

BMC Bioinformatics· May 2018

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