Simulation Articles

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118 Tensor-Train Split-Operator KSL (TT-SOKSL) Method for Quantum Dynamics Simulations
139 Studies on the conformational state of the chromophore group (11-cis-retinal) in rhodopsin by computer molecular simulation methods
14 Photoactivation Intermediates of a G-Protein Coupled Receptor Rhodopsin Investigated by a Hybrid Molecular Simulation
1444. Retinal counterion switch mechanism in vision evaluated by molecular simulations
19. Tensor-Train Split-Operator KSL (TT-SOKSL) Method for Quantum Dynamics Simulations
190. Chromophore rearrangement in binding pocket of rhodopsin makes sense for its physiological dark-adapted state: computer molecular simulation study
24. Tensor-train split-operator KSL (TT-SOKSL) method for quantum dynamics simulations
29 Dynamical simulation of alignment-dependent cis-trans isomerization in Rhodopsin
294. Direct QM/MM simulations of excited state dynamics of Rhodopsin chromophore in different environments
35 Study of the conformational state of the chromophore group (11-cis-retinal) in rhodopsin by computer molecular simulation methods
387. Molecular physiology of rhodopsin: computer simulation
409. A simplified MP/SOFT algorithm for simulations of nonadiabatic quantum dynamics
41 Direct QM/MM simulations of the excited state dynamics of retinal protonated Schiff base in isolation and complex environments
41 The MP/SOFT methodology for simulations of quantum dynamics: Model study of the photoisomerization of the retinyl chromophore in visual rhodopsin
447. Retinal Counterion Switch Mechanism in Vision Evaluated by Molecular Simulations
608. Computer simulation of photoinduced molecular motion and reactivity
797. Chromophore orientation in the photoreceptor of Chlamydomonas as probed by simulation with polarized light
8 Understanding and design of molecular functions of rhodopsin photoeceptors by hybrid molecular simulations

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