作者
Elizabeth Jurrus, Dave Engel, Keith Star, Kyle Monson, Juan Brandi, Lisa E Felberg, David H Brookes, Leighton Wilson, Jiahui Chen, Karina Liles, Minju Chun, Peter Li, David W Gohara, Todd Dolinsky, Robert Konecny, David R Koes, Jens Erik Nielsen, Teresa Head‐Gordon, Weihua Geng, Robert Krasny, Guo‐Wei Wei, Michael J Holst, J Andrew McCammon, Nathan A Baker
发表日期
2018/1
期刊
Protein Science
卷号
27
期号
1
页码范围
112-128
简介
The Adaptive Poisson–Boltzmann Solver (APBS) software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages that have provided impact in the study of a broad range of chemical, biological, and biomedical applications. APBS addresses the three key technology challenges for understanding solvation and electrostatics in biomedical applications: accurate and efficient models for biomolecular solvation and electrostatics, robust and scalable software for applying those theories to biomolecular systems, and mechanisms for sharing and analyzing biomolecular electrostatics data in the scientific community. To address new research applications and advancing computational capabilities, we have continually updated APBS and its suite of accompanying software since its release in 2001. In this article, we discuss the models and capabilities that have recently been …
引用总数
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