On the Dielectric “Constant” of Proteins: Smooth Dielectric Function for Macromolecular Modeling and Its Implementation in DelPhi L Li, C Li, Z Zhang, E Alexov Journal of chemical theory and computation 9 (4), 2126-2136, 2013 | 556 | 2013 |
DelPhi: a comprehensive suite for DelPhi software and associated resources L Li, C Li, S Sarkar, J Zhang, S Witham, Z Zhang, L Wang, N Smith, ... BMC biophysics 5 (1), 9, 2012 | 364 | 2012 |
Structural and physico-chemical effects of disease and non-disease nsSNPs on proteins TG Kucukkal, M Petukh, L Li, E Alexov Current opinion in structural biology 32, 18-24, 2015 | 202 | 2015 |
Community-wide assessment of protein-interface modeling suggests improvements to design methodology SJ Fleishman, TA Whitehead, EM Strauch, JE Corn, S Qin, HX Zhou, ... Journal of molecular biology 414 (2), 289-302, 2011 | 156 | 2011 |
pKa predictions for proteins, RNAs, and DNAs with the Gaussian dielectric function using DelPhi pKa L Wang, L Li, E Alexov Proteins: Structure, Function, and Bioinformatics 83 (12), 2186-2197, 2015 | 125 | 2015 |
Spike proteins of SARS-CoV and SARS-CoV-2 utilize different mechanisms to bind with human ACE2 Y Xie, CB Karki, D Du, H Li, J Wang, A Sobitan, S Teng, Q Tang, L Li Frontiers in molecular biosciences 7, 2020 | 103 | 2020 |
Predicting protein-DNA binding free energy change upon missense mutations using modified MM/PBSA approach: SAMPDI webserver Y Peng, L Sun, Z Jia, L Li, E Alexov Bioinformatics, 2017 | 68 | 2017 |
A novel protocol for three-dimensional structure prediction of RNA-protein complexes Y Huang, S Liu, D Guo, L Li, Y Xiao Scientific reports 3, 2013 | 67 | 2013 |
Forces and Disease: Electrostatic force differences caused by mutations in kinesin motor domains can distinguish between disease-causing and non-disease-causing mutations L Li, Z Jia, Y Peng, S Godar, I Getov, S Teng, J Alper, E Alexov Scientific Reports 7 (1), 8237, 2017 | 60* | 2017 |
DelPhi web server v2: incorporating atomic-style geometrical figures into the computational protocol N Smith, S Witham, S Sarkar, J Zhang, L Li, C Li, E Alexov Bioinformatics 28 (12), 1655-1657, 2012 | 60 | 2012 |
Highly efficient and exact method for parallelization of grid‐based algorithms and its implementation in DelPhi C Li, L Li, J Zhang, E Alexov Journal of Computational Chemistry 33 (24), 1960-1966, 2012 | 53 | 2012 |
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, 2019 | 50 | 2019 |
DelPhiForce, a tool for electrostatic force calculations: Applications to macromolecular binding L Li, A Chakravorty, E Alexov Journal of Computational Chemistry 38 (9), 584-593, 2017 | 49 | 2017 |
On the modeling of polar component of solvation energy using smooth Gaussian-based dielectric function L Li, C Li, E Alexov J. Theor. Comput. Chem, 2014 | 49 | 2014 |
Progress in developing Poisson-Boltzmann equation solvers C Li, L Li, M Petukh, E Alexov Molecular based mathematical biology 1, 42-62, 2013 | 47 | 2013 |
ASPDock: protein-protein docking algorithm using atomic solvation parameters model L Li, D Guo, Y Huang, S Liu, Y Xiao BMC bioinformatics 12 (1), 36, 2011 | 46 | 2011 |
DelPhiForce web server: electrostatic forces and energy calculations and visualization L Li, Z Jia, Y Peng, A Chakravorty, L Sun, E Alexov Bioinformatics 33 (22), 3661-3663, 2017 | 44 | 2017 |
Cytoplasmic dynein binding, run length, and velocity are guided by long-range electrostatic interactions L Li, J Alper, E Alexov Scientific Reports 6, 31523, 2016 | 42 | 2016 |
On the energy components governing molecular recognition in the framework of continuum approaches L Li, L Wang, E Alexov Frontiers in molecular biosciences 2, 2015 | 38 | 2015 |
Predicting nonspecific ion binding using DelPhi M Petukh, M Zhenirovskyy, C Li, L Li, L Wang, E Alexov Biophysical Journal 102 (12), 2885-2893, 2012 | 38 | 2012 |