| SAAFEC-SEQ: A Sequence-Based Method for Predicting the Effect of Single Point Mutations on Protein Thermodynamic Stability G Li, SK Panday, E Alexov International Journal of Molecular Sciences 22 (2), 606, 2021 | 80 | 2021 |
| DelPhi suite: New developments and review of functionalities C Li, Z Jia, A Chakravorty, S Pahari, Y Peng, S Basu, M Koirala, ... Journal of Computational Chemistry 40 (28), 2502-2508, 2019 | 50 | 2019 |
| SAMPDI-3D: predicting the effects of protein and DNA mutations on protein–DNA interactions G Li, SK Panday, Y Peng, E Alexov Bioinformatics 37 (21), 3760-3765, 2021 | 11 | 2021 |
| Capturing the effects of explicit waters in implicit electrostatics modeling: Qualitative justification of Gaussian-based dielectric models in DelPhi A Chakravorty, S Panday, S Pahari, S Zhao, E Alexov Journal of Chemical Information and Modeling 60 (4), 2229-2246, 2020 | 10 | 2020 |
| Protein–Protein Binding Free Energy Predictions with the MM/PBSA Approach Complemented with the Gaussian-Based Method for Entropy Estimation SK Panday, E Alexov ACS omega 7 (13), 11057-11067, 2022 | 8 | 2022 |
| Modeling electrostatics in molecular biology: A tutorial of DelPhi and associated resources [Article v1. 0] SK Panday, MHB Shashikala, M Koirala, S Pahari, A Chakrvorty, Y Peng, ... Living J. Comput. Mol. Sci 1, 10841, 2019 | 8 | 2019 |
| In silico structure-based prediction of receptor–ligand binding affinity: current progress and challenges SK Panday, I Ghosh Structural Bioinformatics: Applications in Preclinical Drug Discovery …, 2019 | 6 | 2019 |
| BION-2: Predicting Positions of Non-Specifically Bound Ions on Protein Surface by a Gaussian-Based Treatment of Electrostatics HBM Shashikala, A Chakravorty, SK Panday, E Alexov International Journal of Molecular Sciences 22 (1), 272, 2020 | 5 | 2020 |
| Coupling Supervised Molecular Dynamics (SuMD) with Entropy Estimations To Shine Light on the Stability of Multiple Binding Sites SK Panday, M Sturlese, V Salmaso, I Ghosh, S Moro ACS medicinal chemistry letters 10 (4), 444-449, 2019 | 5 | 2019 |
| Reproducing ensemble averaged electrostatics with Super-Gaussian-based smooth dielectric function: application to electrostatic component of binding energy of protein complexes SK Panday, MH Shashikala, A Chakravorty, S Zhao, E Alexov Communications in Information and Systems 19 (4), 2019 | 5 | 2019 |
| Predicting the Effect of Single Mutations on Protein Stability and Binding with Respect to Types of Mutations P Pandey, SK Panday, P Rimal, N Ancona, E Alexov International Journal of Molecular Sciences 24 (15), 12073, 2023 | 3 | 2023 |
| Application and Comprehensive Analysis of Neighbor Approximated Information Theoretic Configurational Entropy Methods to Protein–Ligand Binding Cases SK Panday, I Ghosh Journal of Chemical Theory and Computation 16 (12), 7581-7600, 2020 | 3 | 2020 |
| ProLego: tool for extracting and visualizing topological modules in protein structures T Khan, SK Panday, I Ghosh BMC bioinformatics 19 (1), 1-6, 2018 | | 2018 |
Emil AlexovClemson UniversityVerified email at g.clemson.edu
