| 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 | 104 | 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 | 55 | 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 | 21 | 2021 |
| 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 | 18 | 2022 |
| 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 | 14 | 2020 |
| 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 | 10 | 2023 |
| 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 | 10 | 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 | 7 | 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 | 7 | 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 | 6 | 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 |
| SAAMBE-MEM: a sequence-based method for predicting binding free energy change upon mutation in membrane protein–protein complexes P Rimal, SK Panday, W Xu, Y Peng, E Alexov Bioinformatics 40 (9), btae544, 2024 | 3 | 2024 |
| 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 |
| On delivering polar solvation free energy of proteins from energy minimized structures using a regularized super‐Gaussian Poisson–Boltzmann model SK Panday, A Chakravorty, S Zhao, E Alexov Journal of Computational Chemistry 46 (1), e27496, 2025 | 1 | 2025 |
| ProLego: tool for extracting and visualizing topological modules in protein structures T Khan, SK Panday, I Ghosh BMC bioinformatics 19, 1-6, 2018 | 1 | 2018 |
| Assessing the predicted impact of single amino acid substitutions in MAPK proteins for CAGI6 challenges P Turina, M Petrosino, CA Enriquez Sandoval, L Novak, A Pasquo, ... Human Genetics, 1-16, 2025 | | 2025 |
| BPS2025-In silico screening to target calpain heterodimerization with small molecules: Potential drugs to modulate calpain activity P Poudel, I Shapovalov, SK Panday, PA Greer, E Alexov Biophysical Journal 124 (3), 178a, 2025 | | 2025 |
| BPS2025-SAAMBE-MEM: A sequence-based machine-learning approach for predicting binding affinity change due to mutation in membrane protein complexes P Rimal, SK Panday, W Xu, Y Peng, E Alexov Biophysical Journal 124 (3), 403a-404a, 2025 | | 2025 |
| PKAD-R: curated, redesigned and expanded database of experimental pKa values in proteins AY Chen, SK Panday, K Ri, E Alexov, BR Brooks, A Damjanovic Journal of Computational Biophysics and Chemistry, 2025 | | 2025 |
| Further Development of SAMPDI-3D: A Machine Learning Method for Predicting Binding Free Energy Changes Caused by Mutations in Either Protein or DNA P Rimal, SK Paul, SK Panday, E Alexov Genes 16 (1), 101, 2025 | | 2025 |
Emil AlexovClemson UniversityPotvrđena adresa e-pošte na g.clemson.edu