Professor Alan Mark - UQ reSEARCHers (Publications)

	Publications

	2006	Conformational polymorphism of the PrP106-126 peptide in different environments: A molecular dynamics study
	2006	Molecular dynamics simulations of the hydrophobin SC3 at a hydrophobic/hydrophilic interface
	2006	Phase behavior of a phospholipid/fatty acid/water mixture studied in atomic detail
	2006	The effect of box shape on the dynamic properties of proteins simulated under periodic boundary conditions
	2006	The mechanism of vira membrane fusion and identification of novel antiviral lead compounds
	2006	The role of histidine residues in low-pH-mediated viral membrane fusion
	2005	A molecular dynamics study of the formation, stability, and oligomerization state of two designed coiled coils: Possibilities and limitations
	2005	Calculation of the redox potential of the protein azurin and some mutants
	2005	A molecular dynamics study of the structural stability of HIV-1 protease under physiological conditions: The role of Na+ ions in stabilizing the active site
	2005	A structural model for low pH mediated viral fusion: The role of histidine protonation
	2005	Advanced approaches for the characterization of a de novo designed antiparallel coiled coil peptide
	2005	Comparative study of generalized Born models: Protein dynamics
	2005	GROMACS: Fast, flexible, and free
	2005	Incorporating the effect of ionic strength in free energy calculations using explicit ions
	2005	Molecular structure of the lecithin ripple phase
	2005	Simulation of gel phase formation and melting in lipid bilayers using a coarse grained model
	2005	Simulation studies of pore and domain formation in a phospholipid monolayer
	2005	Stability of SIV gp32 fusion-peptide single-layer protofibrils as monitored by molecular-dynamics simulations
	2004	Molecular View of Hexagonal Phase Formation in Phospholipid Membranes
	2004	A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6
	2004	Molecular dynamics simulations of hydrophilic pores in lipid bilayers
	2004	Coarse grained model for semiquantitative lipid simulations
	2004	Electrofreezing of confined water
	2004	Mimicking the action of folding chaperones in molecular dynamics simulations: Application to the refinement of homology-based protein structures
	2004	Molecular dynamics simulation of the spontaneous formation of a small DPPC vesicle in water in atomistic detail
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