Maxim Zhenirovskyy
Clemson University
5 Papers
41 Citations
Maxim Zhenirovskyy is an academic researcher from Clemson University. The author has contributed to research in topics: Web server & Ion. The author has an hindex of 4, co-authored 5 publications.
Chat about Author
Papers
Predicting folding free energy changes upon single point mutations
TL;DR: An approach that predicts the free energy change upon single point mutation by utilizing the 3D structure of the wild-type protein based on variation of the molecular mechanics Generalized Born method, scaled with optimized parameters (sMMGB) and utilizing specific model of unfolded state.
Predicting Nonspecific Ion Binding Using DelPhi
TL;DR: It is shown that ions tend to be bound onto the protein surface at positions with strong potential but with polarity opposite to that of the ion, which helps develop a method that uses a DelPhi-calculated potential map in conjunction with an in-house-developed clustering algorithm to predict nonspecific ion-binding sites.
32
DelEnsembleElec: Computing Ensemble-Averaged Electrostatics Using DelPhi
TL;DR: In this article, a plugin that interfaces with DelPhi to provide ensemble-averaged electrostatic calculations using the Poisson-Boltzmann equation is presented, and examples of the plugin interface and calculations are presented.
6
DelPhi Web Server: A Comprehensive Online Suite
Subhra Sarkar,Shawn Witham,Maxim Zhenirovskyy,Walter Rocchia,Emil Alexov +4 more
- 01 Jan 2011
TL;DR: A web server is reported, the DelPhi web server, which utilizes Delphi program to calculate electrostatic energies and the corresponding electrostatic poten- tial and ionic distributions, and dielectric map and the potential map is requested to be calculated.
4
DelPhi Web Server: A comprehensive online suite for electrostatic calculations of biological macromolecules and their complexes
TL;DR: A web server is reported, the DelPhi web server, which utilizes Delphi program to calculate electrostatic energies and the corresponding electrostatic potential and ionic distributions, and dielectric map, and the server provides extra services to fix structural defects, as missing atoms in the structural file and allows for generation of missing hydrogen atoms.