Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistry
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Advances in understanding the molecular basis of the first steps in color visionVolume-conserving trans-cis isomerization pathways in photoactive yellow protein visualized by picosecond X-ray crystallography.At the dawn of the 21st century: Is dynamics the missing link for understanding enzyme catalysis?Modulation of thermal noise and spectral sensitivity in Lake Baikal cottoid fish rhodopsinsRetinal conformation governs pKa of protonated Schiff base in rhodopsin activationMultiscale Modeling of Biological Functions: From Enzymes to Molecular Machines (Nobel Lecture)Ultrafast Electronic and Vibrational Dynamics of Stabilized A State Mutants of the Green Fluorescent Protein (GFP): Snipping the Proton WireMechanisms for ultrafast nonradiative relaxation in electronically excited eumelanin constituents.Quantum chemical modeling of rhodopsin mutants displaying switchable colors.Photochemical reaction dynamics of the primary event of vision studied by means of a hybrid molecular simulation.Anabaena sensory rhodopsin is a light-driven unidirectional rotor.Vibrational motions associated with primary processes in bacteriorhodopsin studied by coherent infrared emission spectroscopyRe-evaluation of rhodopsin's relaxation kinetics determined from femtosecond stimulated Raman lineshapes.Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model.Water permeation through the internal water pathway in activated GPCR rhodopsin.Molecular bases for the selection of the chromophore of animal rhodopsinsMonitoring conical intersections in the ring opening of furan by attosecond stimulated X-ray Raman spectroscopy.An artificial molecular switch that mimics the visual pigment and completes its photocycle in picoseconds.Functional electric field changes in photoactivated proteins revealed by ultrafast Stark spectroscopy of the Trp residues.Comparison of the isomerization mechanisms of human melanopsin and invertebrate and vertebrate rhodopsins.Microbial and animal rhodopsins: structures, functions, and molecular mechanisms.Fundamental questions and concepts about photoreception and the case of Euglena gracilis.Photochemical reactions in biological systems: probing the effect of the environment by means of hybrid quantum chemistry/molecular mechanics simulations.Using the computer to understand the chemistry of conical intersections.Excited-state minima and emission energies of retinal chromophore analogues: Performance of CASSCF and CC2 methods as compared with CASPT2.Towards the realization of ab initio dynamics at the speed of molecular mechanics: simulations with interpolated diabatic Hamiltonian.Nonadiabatic photodynamics of a retinal model in polar and nonpolar environment100 fs photo-isomerization with vibrational coherences but low quantum yield in Anabaena Sensory Rhodopsin.Mechanism and bottlenecks in strand photodissociation of split green fluorescent proteins (GFPs).Protein Field Effect on the Dark State of 11-cis Retinal in Rhodopsin by Quantum Monte Carlo/Molecular Mechanics.Time-resolved insight into the photosensitized generation of singlet oxygen in endoperoxides.How does the trans-cis photoisomerization of azobenzene take place in organic solvents?Real-time, local basis-set implementation of time-dependent density functional theory for excited state dynamics simulations.A large geometric distortion in the first photointermediate of rhodopsin, determined by double-quantum solid-state NMR.Tuning the Protein-Induced Absorption Shifts of Retinal in Engineered Rhodopsin Mimics.Engineering the vibrational coherence of vision into a synthetic molecular device.Optomechanical Control of Quantum Yield in Trans-Cis Ultrafast Photoisomerization of a Retinal Chromophore Model.Local vibrational coherences drive the primary photochemistry of vision.Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules.Mechanistic origin of the vibrational coherence accompanying the photoreaction of biomimetic molecular switches.
P2860
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P2860
Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistry
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
2007年论文
@zh
2007年论文
@zh-cn
name
Tracking the excited-state tim ...... figurational quantum chemistry
@ast
Tracking the excited-state tim ...... figurational quantum chemistry
@en
type
label
Tracking the excited-state tim ...... figurational quantum chemistry
@ast
Tracking the excited-state tim ...... figurational quantum chemistry
@en
prefLabel
Tracking the excited-state tim ...... figurational quantum chemistry
@ast
Tracking the excited-state tim ...... figurational quantum chemistry
@en
P2860
P50
P356
P1476
Tracking the excited-state tim ...... figurational quantum chemistry
@en
P2860
P304
P356
10.1073/PNAS.0701732104
P407
P577
2007-04-30T00:00:00Z