Accurate Simulations of Lipid Monolayers Require a Water Model with Correct Surface Tension

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
JournalJournal of Chemical Theory and Computation
Volume18
Issue number3
Pages (from-to)1862-1869
Number of pages8
ISSN1549-9618
DOIs
Publication statusPublished - 8 Mar 2022
MoE publication typeA1 Journal article-refereed

Fields of Science

  • MOLECULAR-DYNAMICS SIMULATIONS
  • LINEAR CONSTRAINT SOLVER
  • POLARIZABLE FORCE-FIELD
  • PARTICLE MESH EWALD
  • COMPUTER-SIMULATIONS
  • EFFECTIVE INCLUSION
  • EXPLICIT TREATMENT
  • CATION-BINDING
  • CHARMM
  • POPC
  • 1182 Biochemistry, cell and molecular biology

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