| Nome |
# |
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A Comparative Study of Modern Homology Modeling Algorithms for Rhodopsin Structure Prediction, file e0feeaa7-db47-44d2-e053-6605fe0a8db0
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132
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Engineering the vibrational coherence of vision into a synthetic molecular device, file e0feeaa7-fd30-44d2-e053-6605fe0a8db0
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130
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Red-shifting mutation of light-driven sodium-pump rhodopsin, file e0feeaa8-90a1-44d2-e053-6605fe0a8db0
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93
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Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function, file e0feeaab-8db6-44d2-e053-6605fe0a8db0
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69
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Assessment of Approximate Coupled-Cluster and Algebraic-Diagrammatic-Construction Methods for Ground- and Excited-State Reaction Paths and the Conical-Intersection Seam of a Retinal-Chromophore Model, file e0feeaa9-d78b-44d2-e053-6605fe0a8db0
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65
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Effect of charge-transfer enhancement on the efficiency and rotary mechanism of an oxindole-based molecular motor, file e0feeaab-0edd-44d2-e053-6605fe0a8db0
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46
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Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol, file e0feeaab-67b0-44d2-e053-6605fe0a8db0
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38
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Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational Photobiology, file c940ce23-a858-49e0-85aa-0ac93a686a35
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27
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Directionality of Double-Bond Photoisomerization Dynamics Induced by a Single Stereogenic Center, file e0feeaab-d556-44d2-e053-6605fe0a8db0
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24
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Relationship between Excited State Lifetime and Isomerization Quantum Yield in Animal Rhodopsins: Beyond the One-Dimensional Landau-Zener Model, file e0feeaab-ca7b-44d2-e053-6605fe0a8db0
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21
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Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores, file e0feeaab-d5c6-44d2-e053-6605fe0a8db0
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16
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Towards the engineering of a photon-only two-stroke rotary molecular motor, file e7242802-5571-48d6-a30c-af3b12404a99
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16
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry, file ece945ef-c667-430f-bfea-336826611bf1
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12
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Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin, file 301e2745-ee80-45ec-9436-a9e9a3fa0612
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10
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On the fluorescence enhancement of arch neuronal optogenetic reporters, file a3574881-e2f0-4fa2-849b-0db735ca332e
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10
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Quantum chemical modeling and preparation of a biomimetic photochemical switch, file e0feeaa7-3cc5-44d2-e053-6605fe0a8db0
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7
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Design, Synthesis and Characterization of a Visible-Light-Sensitive Molecular Switch and Its PEGylation Towards a Self-Assembling Molecule, file 3acca0d1-eeb0-4a17-8216-58e3dfee1927
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6
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Effects of the Protein Environment on the Spectral Properties of Tryptophan Radicals in Pseudomonas aeruginosa Azurin, file e0feeaa5-03f0-44d2-e053-6605fe0a8db0
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6
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null, file e0feeaa7-0011-44d2-e053-6605fe0a8db0
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6
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Quantum chemical modeling and preparation of a biomimetic photochemical switch, file e0feeaa7-35c1-44d2-e053-6605fe0a8db0
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6
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Molecole e luce nel calcolatore, file e0feeaa4-c4e7-44d2-e053-6605fe0a8db0
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5
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An Artificial Molecular Switch that Mimics the Visual Pigment and Completes its Photocycle in Picoseconds, file e0feeaa4-db67-44d2-e053-6605fe0a8db0
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5
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Quantum–classical simulations of rhodopsin reveal excited-state population splitting and its effects on quantum efficiency, file e0feeaab-6638-44d2-e053-6605fe0a8db0
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5
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From a one-mode to a multi-mode understanding of conical intersection mediated ultrafast organic photochemical reactions, file df2e5ce7-22de-4eb9-993b-954a42b769a1
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4
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Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function, file e0feeaa6-514b-44d2-e053-6605fe0a8db0
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4
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Computational Photochemistry, file e0feeaa4-d3cb-44d2-e053-6605fe0a8db0
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3
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Conical Intersections in Charge-Transfer Induced Quenching, file e0feeaa4-ea67-44d2-e053-6605fe0a8db0
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3
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Conical Intersections in Charge-Transfer Induced Quenching, file e0feeaa5-0056-44d2-e053-6605fe0a8db0
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3
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Effects of the Protein Environment on the Spectral Properties of Tryptophan Radicals in Pseudomonas aeruginosa Azurin, file e0feeaa5-03ef-44d2-e053-6605fe0a8db0
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3
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Directionality of Double-Bond Photoisomerization Dynamics Induced by a Single Stereogenic Center, file e0feeaa6-51f0-44d2-e053-6605fe0a8db0
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3
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Relationship between Photoisomerization Path and Intersection Space in a Retinal Chromophore Model, file e0feeaa7-71d5-44d2-e053-6605fe0a8db0
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3
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a-ARM: Automatic Rhodopsin Modeling with Chromophore Cavity Generation, Ionization State Selection, and External Counterion Placement, file e0feeaa8-0677-44d2-e053-6605fe0a8db0
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3
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Evidence for a vibrational phase-dependent isotope effect on the photochemistry of vision, file e0feeaa8-0679-44d2-e053-6605fe0a8db0
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3
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Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore Model, file e0feeaa8-0731-44d2-e053-6605fe0a8db0
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3
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Automated QM/MM Screening of Rhodopsin Variants with Enhanced Fluorescence, file 1b26a93b-7122-4ffd-b30c-2d1af7229200
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2
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Design, synthesis and biological evaluation of light-driven on-off multitarget AChE and MAO-B inhibitors, file 83c89ad1-8445-449d-917b-227c5dca0022
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2
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Computational Study on the Origin of the Stereoselectivity for the Photochemical Denitrogenation of Diazabicycloheptene, file e0feeaa4-d8f8-44d2-e053-6605fe0a8db0
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2
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Recent Applications of a QM/MM scheme at the CASPT2//CASSCF/AMBER (or CHARMM) level of theory in Photochemistry and Photobiology, file e0feeaa4-e3b0-44d2-e053-6605fe0a8db0
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2
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The Molecular Mechanism of Dark Noise in Rod Photoreceptors, file e0feeaa4-f052-44d2-e053-6605fe0a8db0
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2
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Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table, file e0feeaa6-5016-44d2-e053-6605fe0a8db0
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2
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null, file e0feeaa6-f6c1-44d2-e053-6605fe0a8db0
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2
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Relationship between Excited State Lifetime and Isomerization Quantum Yield in Animal Rhodopsins: Beyond the One-Dimensional Landau-Zener Model, file e0feeaa7-e9b5-44d2-e053-6605fe0a8db0
|
2
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Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores, file e0feeaa9-a574-44d2-e053-6605fe0a8db0
|
2
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|
Frontiers in Multiscale Modeling of Photoreceptor Proteins, file e0feeaa9-b29d-44d2-e053-6605fe0a8db0
|
2
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|
Modeling the fluorescence of protein-embedded tryptophans with ab-initio multiconfigurational quantum chemistry: the limiting case of Parvalbumin and Monellin, file e0feeaa4-c128-44d2-e053-6605fe0a8db0
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1
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Photoisomerization acceleration in retinal protonated Schiff-base models, file e0feeaa4-d786-44d2-e053-6605fe0a8db0
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1
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Fluorenylidene-Pyrroline Biomimetic Ligth -Driven Molecular Switches, file e0feeaa4-e081-44d2-e053-6605fe0a8db0
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1
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Reaction Path Analysis of the "Tunable" Photoisomerization Selectivity of Free and Locked Retinal Chromophores, file e0feeaa4-e12e-44d2-e053-6605fe0a8db0
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1
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Modeling, preparation and characterization of a dipole moment switch driven by Z/E photoisomerization, file e0feeaa4-e538-44d2-e053-6605fe0a8db0
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1
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Structure of the intersection space associated with Z/E photoisomerization of retinal in rhodopsin proteins, file e0feeaa4-e78f-44d2-e053-6605fe0a8db0
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1
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Toward a computational photobiology, file e0feeaa5-0053-44d2-e053-6605fe0a8db0
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1
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null, file e0feeaa6-514a-44d2-e053-6605fe0a8db0
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1
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Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational Photobiology, file e0feeaa6-514d-44d2-e053-6605fe0a8db0
|
1
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null, file e0feeaa6-5351-44d2-e053-6605fe0a8db0
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1
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Photoisomerization Mechanism of 11-cis-Locked Artificial Retinal Chromophores: Acceleration and Primary Photoproduct Assignment, file e0feeaa6-8633-44d2-e053-6605fe0a8db0
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1
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A fast photoswitch for minimally perturbed peptides: investigation of the trans→cis photoisomerization of N-methylthioacetamide, file e0feeaa6-8bc0-44d2-e053-6605fe0a8db0
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1
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New General Tools for Constrained Geometry Optimizations, file e0feeaa6-8c66-44d2-e053-6605fe0a8db0
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1
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Toward accurate computations in photobiology, file e0feeaa7-36a3-44d2-e053-6605fe0a8db0
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1
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Assessment of MC-PDFT Excitation Energies for a Set of QM/MM Models of Rhodopsins, file e0feeaa7-e8f4-44d2-e053-6605fe0a8db0
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1
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Systematic Excited State Studies of Reversibly Switchable Fluorescent Proteins, file e0feeaa7-eda3-44d2-e053-6605fe0a8db0
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1
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Two-State, Three-Mode Parametrization of the Force Field of a Retinal Chromophore Model, file e0feeaa7-ef14-44d2-e053-6605fe0a8db0
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1
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Fluorescence enhancement of a microbial rhodopsin via electronic reprogramming, file e0feeaa7-f03c-44d2-e053-6605fe0a8db0
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1
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Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model, file e0feeaa8-0619-44d2-e053-6605fe0a8db0
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1
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Theory and Simulation of the Ultrafast Double-Bond Isomerization of Biological Chromophores, file e0feeaa8-067e-44d2-e053-6605fe0a8db0
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1
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The color of rhodopsins at the ab initio multiconfigurational perturbation theory resolution, file e0feeaa8-0733-44d2-e053-6605fe0a8db0
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1
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An average solvent electrostatic configuration protocol for QM/MM Free Energy Optimization: implementation and application to rhodopsin systems, file e0feeaa8-0bdf-44d2-e053-6605fe0a8db0
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1
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OpenMolcas: From Source Code to Insight, file e0feeaa8-4c9e-44d2-e053-6605fe0a8db0
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1
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Multistate Multiconfiguration Quantum Chemical Computation of the Two-Photon Absorption Spectra of Bovine Rhodopsin, file e0feeaa8-4c9f-44d2-e053-6605fe0a8db0
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1
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CpHMD-Then-QM/MM Identification of the Amino Acids Responsible for the Anabaena Sensory Rhodopsin pH-Dependent Electronic Absorption Spectrum, file e0feeaa8-4ca0-44d2-e053-6605fe0a8db0
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1
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null, file e0feeaa8-fd51-44d2-e053-6605fe0a8db0
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1
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|
Modern quantum chemistry with [Open]Molcas, file e0feeaa9-0b51-44d2-e053-6605fe0a8db0
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1
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Free energy computation for an isomerizing chromophore in a molecular cavity via the average solvent electrostatic configuration model: applications in rhodopsin and rhodopsin-mimicking systems, file e0feeaab-0ee0-44d2-e053-6605fe0a8db0
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1
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Xanthopsin-Like Systems via Site-Specific Click-Functionalization of a Retinoic Acid Binding Protein, file e0feeaab-2901-44d2-e053-6605fe0a8db0
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1
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| Totale |
839 |