Using free energy perturbation to predict effects of changing force field parameters on computed conformational equilibriums of peptides

scientific article published in July 2008

Using free energy perturbation to predict effects of changing force field parameters on computed conformational equilibriums of peptides is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1063/1.2944248
P698PubMed publication ID18624500

P2093author name stringHaiyan Liu
Zanxia Cao
P2860cites workTryptophan zippers: Stable, monomeric  -hairpinsQ27631564
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanesQ29397708
Can a continuum solvent model reproduce the free energy landscape of a beta -hairpin folding in water?Q34189756
Empirical force fields for biological macromolecules: overview and issues.Q34334583
Folding and misfolding of the papillomavirus E6 interacting peptide E6apQ35163087
Biomolecular modeling: Goals, problems, perspectivesQ36500277
Folding dynamics and mechanism of beta-hairpin formationQ36890665
Free energy via molecular simulation: applications to chemical and biomolecular systemsQ38648060
Heterogeneous folding of the trpzip hairpin: full atom simulation and experimentQ43014694
Molecular dynamics simulations of the unfolding of an alpha-helical analogue of ribonuclease A S-peptide in waterQ44354473
Temperature weighted histogram analysis method, replica exchange, and transition paths.Q51937292
Replica-exchange molecular dynamics method for protein foldingQ55879366
P433issue1
P407language of work or nameEnglishQ1860
P921main subjectforce fieldQ1341441
P304page(s)015101
P577publication date2008-07-01
P1433published inJournal of Chemical PhysicsQ900472
P1476titleUsing free energy perturbation to predict effects of changing force field parameters on computed conformational equilibriums of peptides
P478volume129

Reverse relations

Q51775185A comparative study of two different force fields on structural and thermodynamics character of H1 peptide via molecular dynamics simulations.cites workP2860

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