Fast Molecular Solvation Energetics and Forces Computation

DOI10.1137/090746173zbMath1203.92003DBLPjournals/siamsc/BajajZ10OpenAlexW2023144302WikidataQ39351493 ScholiaQ39351493MaRDI QIDQ3066215

Wenqi Zhao, Chandrajit L. Bajaj

Publication date: 10 January 2011

Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)

Full work available at URL: http://europepmc.org/articles/pmc2830669

zbMATH Keywords

error analysisfast summationmolecular surfacegeneralized Born

Mathematics Subject Classification ID

Numerical methods for wavelets (65T60) Biochemistry, molecular biology (92C40) Biophysics (92C05) Algorithms for approximation of functions (65D15) Numerical integration (65D30)

Related Items (1)

A fast variational method for the construction of resolution adaptive \(C^2\)-smooth molecular surfaces

Uses Software

• APBS
• CHARMM
• TexMol

This page was built for publication: Fast Molecular Solvation Energetics and Forces Computation