Hostname: page-component-78c5997874-fbnjt Total loading time: 0 Render date: 2024-11-15T03:24:09.397Z Has data issue: false hasContentIssue false

Preface: Special Issue on Modeling Electrostatics in Molecular Biology (MEMB)

Published online by Cambridge University Press:  03 June 2015

Emil Alexov
Affiliation:
Department of Physics and Astronomy, Clemson University, Clemson, SC 29634, USA
Guo-Wei Wei
Affiliation:
Department of Mathematics, Michigan State University, East Lansing, MI 48824, USA
Get access

Abstract

Image of the first page of this content. For PDF version, please use the ‘Save PDF’ preceeding this image.'
Type
Introduction
Copyright
Copyright © Global Science Press Limited 2013

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

[1]Pang, X. and Zhou, H.-X., Poisson-Boltzmann calculations: van der Waals or molecular surface?, Commun. Comput. Phys., 13 (2013), 112.CrossRefGoogle ScholarPubMed
[2]Wang, L., Zhang, Z., Rocchia, W. and Alexov, E., Using DelPhi capabilities to mimic protein’s conformational reorganization with amino acid specific dielectric constants, Commun. Comput. Phys., 13 (2013), 1330.CrossRefGoogle ScholarPubMed
[3]Zheng, F. and Zhan, C.-G., Computational modeling of solvent effects on protein-ligand interactions using fully polarizable continuum model and rational drug design, Commun. Comput. Phys., 13 (2013), 3160.Google Scholar
[4]Decherchi, S., Colmenares, J., Catalano, C. E., Spagnuolo, M., Alexov, E. and Rocchia, W., Between algorithm and model: Different molecular surface definitions for the Poisson-Boltzmann based electrostatic characterization of biomolecules in solution, Commun. Comput. Phys., 13 (2013), 6189.Google Scholar
[5]Date, M. S. and Dominy, B. N., Modeling the influence of salt on the hydrophobic effect and protein fold stability, Commun. Comput. Phys., 13 (2013), 90106.Google Scholar
[6]Zhang, B., Lu, B., Cheng, X., Huang, J., Pitsianis, N. P., Sun, X. and McCammon, J. A., Mathematical and numerical aspects of the adaptive fast multipole Poisson-Boltzmann solver, Commun. Comput. Phys., 13 (2013), 107128.CrossRefGoogle Scholar
[7]Song, W., Lin, Y., Baumketner, A., Deng, S., Cai, W. and Jacobs, D. J., Effect of the reaction field on molecular forces and torques revealed by an image-charge solvation model, Commun. Comput. Phys., 13 (2013), 129149.Google Scholar
[8]Mirzadeh, M., Theillard, M., Helgad, A., Boy, D. and Gibou, F., An adaptive, finite difference solver for the nonlinear Poisson-Boltzmann equation with applications to biomolecular computations, Commun. Comput. Phys., 13 (2013), 150173.CrossRefGoogle Scholar
[9]Xie, D. and Volkmer, H. W., A modified nonlocal continuum electrostatic model for protein in water and its analytical solutions for ionic Born models, Commun. Comput. Phys., 13 (2013), 174194.Google Scholar
[10]Mackoy, T., Harris, R. C., Johnson, J., Mascagni, M. and Fenley, M. O., Numerical optimization of a walk-on-spheres solver for the linear Poisson-Boltzmann equation, Commun. Comput. Phys., 13 (2013), 195206.Google Scholar
[11]Wang, L., Witham, S., Zhang, Z., Li, L., Hodsdon, M. and Alexov, E., In silico investigation of pH-dependence of prolactin and human growth hormone binding to human prolactin receptor, Commun. Comput. Phys., 13 (2013), 207222.CrossRefGoogle ScholarPubMed
[12]Brice, A. R. and Dominy, B. N., Examining electrostatic influences on base-flipping: A comparison of TIP3P and GB solvent models, Commun. Comput. Phys., 13 (2013), 223237.Google Scholar
[13]Martins, J. M., Ramos, R. M. and Moreira, I. S., Structural determinants of a typical leucine-rich repeat protein, Commun. Comput. Phys., 13 (2013), 238255.Google Scholar
[14]Votapka, L. W., Czapla, L., Zhenirovskyy, M. and Amaro, R. E., DelEnsembleElec: Computing ensemble-averaged electrostatics using DelPhi, Commun. Comput. Phys., 13 (2013), 256268.Google Scholar
[15]Sarkar, S., Witham, S., Zhang, J., Zhenirovskyy, M., Rocchia, W. and Alexov, E., DelPhi web server: A comprehensive online suite for electrostatic calculations of biological macromolecules and their complexes, Commun. Comput. Phys., 13 (2013), 269284.Google Scholar
[16]Chen, D. and Wei, G.-W., Quantum dynamics in continuum for proton transport I: Basic formulation, Commun. Comput. Phys., 13 (2013), 285324.CrossRefGoogle ScholarPubMed