Improvements to the APBS biomolecular solvation software suite

Abstract 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…

• NS
  National Science Foundation

  Awards: 1418966, GM31749, 110640, DE-AC05-76RL01830, DE-AC02-05CH11231, 76RL01830
• UD
  U.S. Department of Defense

  Awards: DE-AC02-05CH11231, DE-AC05-76RL01830
• UD
  U.S. Department of Energy

  Awards: -AC02-05CH11231, 76RL01830, AC05-76RL01830, 05CH11231, DE-AC05-76RL01830, AC02-05CH11231, DE-AC02, DE-AC02-05CH11231, DE-AC05, DE-AC02-
• NI
  National Institutes of Health

  Awards: GM31749, GM069702, GM103426, DE-AC02-05CH11231, DE-AC05-76RL01830
• OO
  Office of Science

  Awards: AC02-05CH11231, -AC02-05CH11231, DE-AC02, DE-AC05-76RL01830
• ND
  National Defense Science and Engineering Graduate
• NI
  National Institute of General Medical Sciences

  Awards: DE-AC02-05CH11231, GM069702, GM31749, GM103426
• DO
  Division of Graduate Education
• DO
  Division of Mathematical Sciences

  Award: 1418966
• BE
  Basic Energy Sciences

  Awards: DE-AC02, DE-AC05-76RL01830, AC02-05CH11231, DE-AC02-05CH11231, -AC02-05CH11231