Exploration of Free Energy Surfaces Across a Membrane Channel Using Metadynamics and Umbrella Sampling

  • Vinaya Kumar Golla
  • , Jignesh Prajapati
  • , Manas Joshi
  • , Ulrich Kleinekathöfer*
  • *Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

34 Citations (Scopus)
Original languageEnglish
Pages (from-to)2751-2765
Number of pages15
JournalJournal of Chemical Theory and Computation
Volume16
Issue number4
DOIs
Publication statusPublished - 14-Apr-2020
Externally publishedYes

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