期刊论文

Ying, Jinyong

英文

JOURNAL OF INDUSTRIAL AND MANAGEMENT OPTIMIZATION

1547-5816

2017

16

1

357-369

10.3934/jimo.2018155

The first author was financially supported by the China NSF (NSFC 11501053 and NSFC 5170713) and the Education Department of Hunan (15C0026). The second author was supported by the China NSF (NSFC 11701576) and the initiative research fund from Central South University. Acknowledgments We would like to thank the referees for valuable comments and suggestions. Lin Xu was supported by MOE (Ministry of Education in China) Project of Humanities and Social Sciences (17YJC910009). Dingjun Yao was supported by the National Natural Science Foundation of China (71671082, 71501088) and MOE (Ministry of Education in China) Project of Humanities and Social Sciences (15YJC910008). Gongpin Cheng was supported by the National Natural Science Foundation of China (11801265) and the Natural Science Foundation of the Jiangsu Higher Education Institutions of China (18KJB110011).

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The nonlocal mofied Poisson-Boltzmann equation (NMPBE) is one important variant of a commonly-used dielectric continuum model, Poisson-Boltzmann equation (PBE). In this paper, we use a nonlinear block relaxation method to develop a new nonlinear solver for the nonlinear equation of Φ and thus a new NMPBE solver, which is then programmed as a software package in C\C++, Fortran and Python for computing the electrostatics of a protein in a symmetric 1:1 ionic solvent. Numerical tests validate the new package and show that the new solver can impro...