Mixed Monte Carlo/molecular dynamics simulations in explicit solvent.

scientific article published on 25 January 2012

Mixed Monte Carlo/molecular dynamics simulations in explicit solvent. is …
instance of (P31):
scholarly articleQ13442814

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P8978DBLP publication IDjournals/jcc/RibeiroA12
P356DOI10.1002/JCC.22925
P698PubMed publication ID22278955
P5875ResearchGate publication ID221778999

P2093author name stringRicardo B de Alencastro
André A S T Ribeiro
P2860cites workEquation of State Calculations by Fast Computing MachinesQ5384234
UCSF Chimera--a visualization system for exploratory research and analysisQ27860666
Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical featuresQ27860675
GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular SimulationQ27860944
Effective Born radii in the generalized Born approximation: the importance of being perfectQ28221237
Canonical sampling through velocity rescalingQ29616131
Unfolded state of polyalanine is a segmented polyproline II helix.Q30341342
Simulation methods for protein structure fluctuationsQ30416261
Unusual compactness of a polyproline type II structureQ33920025
Alpha-helical stabilization by side chain shielding of backbone hydrogen bondsQ34014321
Monte Carlo vs molecular dynamics for all-atom polypeptide folding simulationsQ40297191
Novel methods of sampling phase space in the simulation of biological systemsQ41420183
Helix-coil transition of alanine peptides in water: force field dependence on the folded and unfolded structuresQ46426339
Monte Carlo simulations of biomolecules: The MC module in CHARMM.Q46831849
P433issue8
P304page(s)901-905
P577publication date2012-01-25
P1433published inJournal of Computational ChemistryQ3186908
P1476titleMixed Monte Carlo/molecular dynamics simulations in explicit solvent.
P478volume33

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cites work (P2860)
Q46663691A hybrid MD-kMC algorithm for folding proteins in explicit solvent
Q41068250A kMC-MD method with generalized move-sets for the simulation of folding of α-helical and β-stranded peptides
Q37645100Atomistic Monte Carlo simulation of lipid membranes
Q58889976Combining molecular dynamics with Monte Carlo simulations: implementations and applications

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