Emil Alexov
Orcid: 0000-0001-5346-0156
According to our database1,
Emil Alexov
authored at least 37 papers
between 2002 and 2024.
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Bibliography
2024
Calculation of electrostatic free energy for the nonlinear Poisson-Boltzmann model based on the dimensionless potential.
J. Comput. Phys., January, 2024
2023
Convergence of a diffuse interface Poisson-Boltzmann (PB) model to the sharp interface PB model: A unified regularization formulation.
Appl. Math. Comput., 2023
2022
A regularization approach for solving the super-Gaussian Poisson-Boltzmann model with heterogeneous dielectric functions.
J. Comput. Phys., 2022
2021
SAMPDI-3D: predicting the effects of protein and DNA mutations on protein-DNA interactions.
Bioinform., 2021
SAAMBE-SEQ: a sequence-based method for predicting mutation effect on protein-protein binding affinity.
Bioinform., 2021
2020
Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi.
J. Chem. Inf. Model., 2020
Effects of Single-Nucleotide Polymorphisms in Calmodulin-Dependent Protein Kinase Kinase 2 (CAMKK2): A Comprehensive Study.
Comput. Math. Methods Medicine, 2020
A regularization approach for solving Poisson's equation with singular charge sources and diffuse interfaces.
Appl. Math. Lett., 2020
2019
A grid-based algorithm in conjunction with a gaussian-based model of atoms for describing molecular geometry.
J. Comput. Chem., 2019
Reproducing ensemble averaged electrostatics with Super-Gaussian-based smooth dielectric function: application to electrostatic component of binding energy of protein complexes.
Commun. Inf. Syst., 2019
PKAD: a database of experimentally measured pKa values of ionizable groups in proteins.
Database J. Biol. Databases Curation, 2019
2018
Predicting protein-DNA binding free energy change upon missense mutations using modified MM/PBSA approach: SAMPDI webserver.
Bioinform., 2018
2017
DelPhiForce, a tool for electrostatic force calculations: Applications to macromolecular binding.
J. Comput. Chem., 2017
J. Comput. Chem., 2017
DelPhiForce web server: electrostatic forces and energy calculations and visualization.
Bioinform., 2017
2016
Electrostatic component of binding energy: Interpreting predictions from poisson-boltzmann equation and modeling protocols.
J. Comput. Chem., 2016
Bioinform., 2016
2015
Predicting Binding Free Energy Change Caused by Point Mutations with Knowledge-Modified MM/PBSA Method.
PLoS Comput. Biol., 2015
Statistical investigation of surface bound ions and further development of BION server to include pH and salt dependence.
J. Comput. Chem., 2015
Structural, Dynamical, and Energetical Consequences of Rett Syndrome Mutation R133C in MeCP2.
Comput. Math. Methods Medicine, 2015
2014
Modeling the electrostatic potential of asymmetric lipopolysaccharide membranes: The MEMPOT algorithm implemented in DelPhi.
J. Comput. Chem., 2014
Comput. Math. Methods Medicine, 2014
Structural and energetic determinants of tyrosylprotein sulfotransferase sulfation specificity.
Bioinform., 2014
2013
PLoS Comput. Biol., 2013
Continuous development of schemes for parallel computing of the electrostatics in biological systems: Implementation in DelPhi.
J. Comput. Chem., 2013
Research and applications: A rational free energy-based approach to understanding and targeting disease-causing missense mutations.
J. Am. Medical Informatics Assoc., 2013
2012
Highly efficient and exact method for parallelization of grid-based algorithms and its implementation in DelPhi.
J. Comput. Chem., 2012
Comput. Math. Methods Medicine, 2012
DelPhi web server v2: incorporating atomic-style geometrical figures into the computational protocol.
Bioinform., 2012
2010
Structural assessment of the effects of Amino Acid Substitutions on protein stability and protein-protein interaction.
Int. J. Comput. Biol. Drug Des., 2010
2007
PROTCOM: searchable database of protein complexes enhanced with domain-domain structures.
Nucleic Acids Res., 2007
Assessing the Quality of the Homology-Modeled 3D Structures from electrostatic Standpoint: Test on bacterial nucleoside monophosphate kinase Families.
J. Bioinform. Comput. Biol., 2007
2006
Predicting residue contacts using pragmatic correlated mutations method: reducing the false positives.
BMC Bioinform., 2006
2002
Rapid grid-based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: Applications to the molecular systems and geometric objects.
J. Comput. Chem., 2002