Quantum Simulation

12 papers for year 2007 from PubMed

Showing 1-12 of 12

A breakthrough in neuroscience needs a "Nebulous Cartesian System" Oscillations, quantum dynamics and chaos in the brain and vegetative system.

Başar E, Güntekin B

2007 PubMed International journal of psychophysiology : official journal of the International Organization of Psychophysiology

A quantum chemical study of the mechanism of action of Vitamin K carboxylase (VKC) III. Intermediates and transition states.

Davis CH, Deerfield D 2nd, Wymore T, Stafford DW, Pedersen LG

2007 PubMed Journal of molecular graphics & modelling

Active site dynamics and combined quantum mechanics/molecular mechanics (QM/MM) modelling of a HIV-1 reverse transcriptase/DNA/dTTP complex.

Rungrotmongkol T, Mulholland AJ, Hannongbua S

2007 PubMed Journal of molecular graphics & modelling

Comparison of the effects of mechanical and osmotic pressures on the collagen fiber architecture of intact and proteoglycan-depleted articular cartilage.

Saar G, Shinar H, Navon G

2007 PubMed European biophysics journal : EBJ

Creation of quaternary stereocenters in carbonyl allylation reactions.

Marek I, Sklute G

2007 PubMed Chemical communications (Cambridge, England)

Electron imaging with Medipix2 hybrid pixel detector.

McMullan G, Cattermole DM, Chen S, Henderson R, Llopart X, Summerfield C, Tlustos L, Faruqi AR

2007 PubMed Ultramicroscopy

High performance computing in biology: multimillion atom simulations of nanoscale systems.

Sanbonmatsu KY, Tung CS

2007 PubMed Journal of structural biology

Hydration and stability of nucleic acid bases and base pairs.

Kabelác M, Hobza P

2007 PubMed Physical chemistry chemical physics : PCCP

Microtubules as mechanical force sensors.

Karafyllidis IG, Lagoudas DC

2007 PubMed Bio Systems

Modeling the charge distribution at metal sites in proteins for molecular dynamics simulations.

Dal Peraro M, Spiegel K, Lamoureux G, De Vivo M, DeGrado WF, Klein ML

2007 PubMed Journal of structural biology

Optical absorption of methoxy and carboethoxy derivatives of 1,3-diphenyl-1H-pyrazolo[3,4-b]quinoline.

Całus S, Gondek E, Pokladko M, Kulig E, Jarosz B, Kityk AV

2007 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Substituent effects in the 13C NMR chemical shifts of alpha-mono-substituted acetonitriles.

Reis AK, Rittner R

2007 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy