Multicanonical simulations based on contact maps for square-well heteropolymers using event driven molecular dynamics

A. McGuire, M. N. Bannerman, R. A. Curtis, L. Lue

Research output: Chapter in Book/Report/Conference proceedingConference contribution book

Original languageEnglish
Title of host publicationComputational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting
Subtitle of host publicationGlobal Challenges for Engineering a Sustainable Future
Pages121-123
Number of pages3
ISBN (Electronic)9781634390354
Publication statusPublished - 1 Jan 2013
EventComputational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future - San Francisco, United States
Duration: 3 Nov 20138 Nov 2013

Conference

ConferenceComputational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future
CountryUnited States
CitySan Francisco
Period3/11/138/11/13

Keywords

  • simulated tempering
  • multicanonical simulations
  • contact maps
  • square-well heteropolymers
  • molecular dynamics

Cite this

McGuire, A., Bannerman, M. N., Curtis, R. A., & Lue, L. (2013). Multicanonical simulations based on contact maps for square-well heteropolymers using event driven molecular dynamics. In Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future (pp. 121-123)