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January 2012 |
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March 2015 |
Improving diffraction by humidity control: a novel device compatible with X-ray beamlines
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November 2009 |
Refinement of Macromolecular Structures by the Maximum-Likelihood Method
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May 1997 |
An algal photoenzyme converts fatty acids to hydrocarbons
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August 2017 |
Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data
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March 2016 |
ID30A-3 (MASSIF-3) – a beamline for macromolecular crystallography at the ESRF with a small intense beam
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April 2020 |
Structure of a CLC chloride ion channel by cryo-electron microscopy
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December 2016 |
The ID23-2 structural biology microfocus beamline at the ESRF
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December 2009 |
Femtosecond X-ray protein nanocrystallography
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February 2011 |
Asynchronous optical sampling with arbitrary detuning between laser repetition rates
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January 2012 |
Comparison of simple potential functions for simulating liquid water
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July 1983 |
How to select active space for multiconfigurational quantum chemistry?
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April 2011 |
Cysteine S−H as a Hydrogen-Bonding Probe in Proteins
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May 1998 |
In crystallo optical spectroscopy ( ic OS) as a complementary tool on the macromolecular crystallography beamlines of the ESRF
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January 2015 |
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins †
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April 1998 |
Enzymes for fatty acid-based hydrocarbon biosynthesis
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December 2016 |
Ultrafast enzymatic reaction dynamics in protochlorophyllide oxidoreductase
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May 2003 |
Crystal structures of cyanobacterial light-dependent protochlorophyllide oxidoreductase
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March 2020 |
Identification of the TyrOH •+ Radical Cation in the Flavoenzyme TrmFO
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August 2017 |
Very Fast Product Release and Catalytic Turnover of DNA Photolyase
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June 2009 |
Discovery and functional analysis of a 4th electron-transferring tryptophan conserved exclusively in animal cryptochromes and (6-4) photolyases
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January 2015 |
A Molecular Mechanics Model for Flavins
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August 2019 |
Vibrational analysis of amino acids: cysteine, serine, β-chloroalanine
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October 1983 |
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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April 2010 |
Protein Function in the Crystal
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June 1996 |
Light-Dependent Protochlorophyllide Oxidoreductase: Phylogeny, Regulation, and Catalytic Properties
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August 2015 |
Continuous scanning from picoseconds to microseconds in time resolved linear and nonlinear spectroscopy
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November 2004 |
Infrared Absorption Spectra of SO 2 and CO 2 in Aqueous Solution
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May 1958 |
A Tale of Two Acids: When Arginine Is a More Appropriate Acid than H 3 O +
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June 2010 |
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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January 1988 |
Crystal Structure and Mechanism of a DNA (6-4) Photolyase
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December 2008 |
Redox Control of Protein Conformation in Flavoproteins
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July 2009 |
Use of ruthenium dyes for subnanosecond detector fidelity testing in real time transient absorption
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April 2009 |
Illumination guidelines for ultrafast pump–probe experiments by serial femtosecond crystallography
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May 2020 |
Coot model-building tools for molecular graphics
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November 2004 |
CASS—CFEL-ASG software suite
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October 2012 |
Simulation of activation free energies in molecular systems
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August 1996 |
Narrow-bandwidth picosecond pulses by spectral compression of femtosecond pulses in second-order nonlinear crystals
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January 2007 |
Role of Arginine-82 in Fast Proton Release during the Bacteriorhodopsin Photocycle: A Time-Resolved FT-IR Study of Purple Membranes Containing 15 N-Labeled Arginine
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September 2004 |
ATP Binding Turns Plant Cryptochrome Into an Efficient Natural Photoswitch
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June 2014 |
Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis
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October 2019 |
Generalization of the Mulliken-Hush treatment for the calculation of electron transfer matrix elements
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January 1996 |
Enzymes make light work of hydrocarbon production
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August 2017 |
Molecular replacement with MOLREP
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December 2009 |
Fourier transform infrared difference spectroscopy of bacteriorhodopsin and its photoproducts regenerated with deuterated tyrosine
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October 1986 |
Neutral Histidine and Photoinduced Electron Transfer in DNA Photolyases
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November 2011 |
MUSCLE: multiple sequence alignment with high accuracy and high throughput
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March 2004 |
Bicarbonate binding to the non-heme iron of photosystem II, investigated by Fourier transform infrared difference spectroscopy and 13C-labeled bicarbonate.
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December 1995 |
Linking Crystallographic Model and Data Quality
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May 2012 |
Quantitative IR spectrophotometry of peptide compounds in water (H2O) solutions. I. Spectral parameters of amino acid residue absorption bands
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January 1990 |
Excited‐State Charge Separation in the Photochemical Mechanism of the Light‐Driven Enzyme Protochlorophyllide Oxidoreductase
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December 2014 |
Colouring cryo-cooled crystals: online microspectrophotometry
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February 2009 |
MeshAndCollect : an automated multi-crystal data-collection workflow for synchrotron macromolecular crystallography beamlines
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October 2015 |
Recent advances in the optical control of protein function through genetic code expansion
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October 2018 |
Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses
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April 2020 |
Scalable molecular dynamics with NAMD
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January 2005 |
Role of the Molecular Environment in Flavoprotein Color and Redox Tuning: QM Cluster versus QM/MM Modeling
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July 2015 |
Challenges in Computing Electron-Transfer Energies of DNA Repair Using Hybrid QM/MM Models
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September 2013 |
Mechanisms of DNA Repair by Photolyase and Excision Nuclease (Nobel Lecture)
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June 2016 |
Microalgae synthesize hydrocarbons from long-chain fatty acids via a light-dependent pathway
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June 2016 |
Crystallography & NMR System: A New Software Suite for Macromolecular Structure Determination
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September 1998 |
Injector for scattering measurements on fully solvated biospecies
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March 2012 |
Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin
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July 2019 |
A Preference for Edgewise Interactions between Aromatic Rings and Carboxylate Anions: The Biological Relevance of Anion−Quadrupole Interactions
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July 2007 |
Photochemical Mechanism of Light-Driven Fatty Acid Photodecarboxylase
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May 2020 |
Online Raman spectroscopy for structural biology on beamline ID29 of the ESRF
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November 2017 |
Crystal Structure of a Photolyase Bound to a CPD-Like DNA Lesion After in Situ Repair
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December 2004 |
Determination of damage-free crystal structure of an X-ray–sensitive protein using an XFEL
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May 2014 |
The photophysical and photochemical properties of flavins (isoalloxazines)
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January 1982 |
Continuous photoproduction of hydrocarbon drop-in fuel by microbial cell factories
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September 2019 |
SeaView Version 4: A Multiplatform Graphical User Interface for Sequence Alignment and Phylogenetic Tree Building
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October 2009 |
Ultrafast real-time visualization of active site flexibility of flavoenzyme thymidylate synthase ThyX
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May 2013 |
Flavin reduction potential tuning by substitution and bending
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April 2003 |
Ultrafast catalytic processes in enzymes
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April 2007 |
PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical p K a Predictions
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December 2010 |
Density‐functional thermochemistry. III. The role of exact exchange
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April 1993 |
Extended multi-configuration quasi-degenerate perturbation theory: The new approach to multi-state multi-reference perturbation theory
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June 2011 |
Estimation of amino acid residue side-chain absorption in the infrared spectra of protein solutions in heavy water
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April 1975 |
Removing cross-phase modulation from midinfrared chirped-pulse upconversion spectra
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January 2009 |
All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data
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January 2000 |
RADDOSE-3D : time- and space-resolved modelling of dose in macromolecular crystallography
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June 2013 |
General atomic and molecular electronic structure system
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November 1993 |
Decrypting Cryptochrome: Revealing the Molecular Identity of the Photoactivation Reaction
- Solov’yov, Ilia A.; Domratcheva, Tatiana; Moughal Shahi, Abdul Rehaman
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Journal of the American Chemical Society, Vol. 134, Issue 43
https://doi.org/10.1021/ja3074819
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October 2012 |
Gaussian basis sets for use in correlated molecular calculations. V. Core‐valence basis sets for boron through neon
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September 1995 |
Hydrogen Bonding, Solvent Exchange, and Coupled Proton and Electron Transfer in the Oxidation and Reduction of Redox-Active Tyrosine Y Z in Mn-Depleted Core Complexes of Photosystem II †
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December 1998 |
Tracking Flavin Conformations in Protein Crystal Structures with Raman Spectroscopy and QM/MM Calculations
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February 2010 |
Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams
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April 2015 |
Intruder state avoidance multireference Møller-Plesset perturbation theory: Multireference Møller-Plesset Perturbation Theory
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May 2002 |
FIP: a highly automated beamline for multiwavelength anomalous diffraction experiments
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April 2002 |
Hydrocarbon Synthesis via Photoenzymatic Decarboxylation of Carboxylic Acids
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January 2019 |
Light‐Driven Kinetic Resolution of α‐Functionalized Carboxylic Acids Enabled by an Engineered Fatty Acid Photodecarboxylase
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June 2019 |
Modeling Vibrational Spectra of Amino Acid Side Chains in Proteins: Effects of Protonation State, Counterion, and Solvent on Arginine C−N Stretch Frequencies
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May 1999 |
Multiscale control and rapid scanning of time delays ranging from picosecond to millisecond
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January 2017 |
Structure and insights into the function of a Ca2+-activated Cl− channel
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October 2014 |
PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations
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July 2004 |
Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy
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February 2020 |
Arbitrary-detuning asynchronous optical sampling with amplified laser systems
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January 2015 |
Accessing non-natural reactivity by irradiating nicotinamide-dependent enzymes with light
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December 2016 |
A vibrational-spectroscopic study of the species present in the CO2?H2O system
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October 1972 |
Crystal structure of reduced thioredoxin reductase from Escherichia coli: Structural flexibility in the isoalloxazine ring of the flavin adenine dinucleotide cofactor
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January 1999 |
ID29: a high-intensity highly automated ESRF beamline for macromolecular crystallography experiments exploiting anomalous scattering
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March 2012 |
Membrane Inlet Mass Spectrometry: A Powerful Tool for Algal Research
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September 2020 |
Improved Estimation of Structure-Factor Difference Amplitudesfrom Poorly Accurate Data
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September 1997 |
Kinetics and Mechanism of Carbamate Formation from CO 2 (aq), Carbonate Species, and Monoethanolamine in Aqueous Solution
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April 2009 |
An anti-settling sample delivery instrument for serial femtosecond crystallography
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July 2012 |
Excited state dynamics and catalytic mechanism of the light-driven enzyme protochlorophyllide oxidoreductase
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January 2012 |
Phaser crystallographic software
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July 2007 |