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Journal of Molecular Biology|January 16, 2007
Calculation of pKas in RNA: on the structural origins and functional roles of protonated nucleotidesChristopher L Tang, Emil Alexov, Anna Marie Pyle, et al.PMC Biophysics|April 9, 2009
On the electrostatic component of protein-protein binding free energyKemper Talley, Carmen Ng, Michael Shoppell, et al.Journal of Chemical Theory and Computation|January 20, 2018
Reproducing the Ensemble Average Polar Solvation Energy of a Protein from a Single Structure: Gaussian-Based Smooth Dielectric Function for Macromolecular ModelingArghya Chakravorty, Zhe Jia, Lin Li, et al.Scientific Reports|September 7, 2018
E-hooks provide guidance and a soft landing for the microtubule binding domain of dyneinNayere Tajielyato, Lin Li, Yunhui Peng, et al.International Journal of Molecular Sciences|September 13, 2025
CDKL5 Deficiency Disorder: Revealing the Molecular Mechanism of Pathogenic VariantsShamrat Kumar Paul, Shailesh Kumar Panday, Luigi Boccuto, et al.Bioinformatics (Oxford, England)|November 2, 2017
Predicting protein-DNA binding free energy change upon missense mutations using modified MM/PBSA approach: SAMPDI webserverYunhui Peng, Lexuan Sun, Zhe Jia, 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 DNAPrawin Rimal, Shamrat Kumar Paul, Shailesh Kumar Panday, et al.Journal of Chemical Information and Modeling|March 11, 2020
Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhiArghya Chakravorty, Shailesh Panday, Swagata Pahari, et al.Biophysical Journal|August 19, 2007
Optimization of electrostatic interactions in protein-protein complexesKelly Brock, Kemper Talley, Kacey Coley, et al.Journal of Computational Chemistry|May 7, 2014
Modeling the electrostatic potential of asymmetric lipopolysaccharide membranes: the MEMPOT algorithm implemented in DelPhiRoberta P Dias, Lin Lin, Thereza A Soares, et al.Pageof 15