Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity
- Huggins, David J.; Biggin, Philip C.; Dämgen, Marc A.
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Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 9, Issue 3
https://doi.org/10.1002/wcms.1393
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September 2018 |
Ligand binding free energy and kinetics calculation in 2020
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January 2020 |
High-Speed Electron Microscopy
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book
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January 2019 |
A molecular engineering toolbox for the structural biologist
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January 2017 |
Electric-field-stimulated protein mechanics
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December 2016 |
Concentric-flow electrokinetic injector enables serial crystallography of ribosome and photosystem II
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November 2015 |
Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate
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November 2017 |
Ultrafast valence to non-valence excited state dynamics in a common anionic chromophore
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December 2019 |
Ultracompact 3D microfluidics for time-resolved structural biology
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January 2020 |
Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy
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February 2020 |
Time-resolved serial femtosecond crystallography at the European XFEL
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November 2019 |
Hydroxyethyl cellulose matrix applied to serial crystallography
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April 2017 |
Mapping few-femtosecond slices of ultra-relativistic electron bunches
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May 2017 |
Supersaturation-controlled microcrystallization and visualization analysis for serial femtosecond crystallography
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February 2018 |
Oil-free hyaluronic acid matrix for serial femtosecond crystallography
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April 2016 |
The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography
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October 2016 |
Structure determination of trans-cinnamaldehyde by broadband microwave spectroscopy
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January 2015 |
The direct observation of the doorway 1 nπ* state of methylcinnamate and hydrogen-bonding effects on the photochemistry of cinnamate-based sunscreens
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January 2019 |
Data-driven challenges and opportunities in crystallography
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July 2019 |
Time-resolved structural studies with serial crystallography: A new light on retinal proteins
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June 2015 |
Fixed target matrix for femtosecond time-resolved and in situ serial micro-crystallography
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August 2015 |
Mixing injector enables time-resolved crystallography with high hit rate at X-ray free electron lasers
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August 2016 |
Microfluidics: From crystallization to serial time-resolved crystallography
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May 2017 |
Perspective: Opportunities for ultrafast science at SwissFEL
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November 2017 |
Advances and opportunities in ultrafast X-ray crystallography and ultrafast structural optical crystallography of nuclear and electronic protein dynamics
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September 2019 |
High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures
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September 2019 |
Evaluation of serial crystallographic structure determination within megahertz pulse trains
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November 2019 |
Unveiling coupled electronic and vibrational motions of chromophores in condensed phases
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November 2019 |
Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
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February 2016 |
Structural basis of molecular logic OR in a dual-sensor histidine kinase
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September 2019 |
Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency
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November 2018 |
Coherent and transient states studied with extreme ultraviolet and X-ray free electron lasers: present and future prospects
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April 2015 |
An outlook on using serial femtosecond crystallography in drug discovery
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May 2019 |
Optical control, selection and analysis of population dynamics in ultrafast protein X-ray crystallography
- Hutchison, Christopher D. M.; van Thor, Jasper J.
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Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 377, Issue 2145
https://doi.org/10.1098/rsta.2017.0474
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journal
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April 2019 |
Ultrafast Structural Changes Decomposed from Serial Crystallographic Data
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posted_content
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July 2019 |
Protein crystals IR laser ablated from aqueous solution at high speed retain their diffractive properties: applications in high-speed serial crystallography
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November 2017 |
A simple adaptation to a protein crystallography station to facilitate difference X-ray scattering studies
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journal
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March 2019 |
ClickX : a visualization-based program for preprocessing of serial crystallography data
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journal
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May 2019 |
A temperature-controlled cold-gas humidifier and its application to protein crystals with the humid-air and glue-coating method
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journal
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June 2019 |
Nanosecond pump–probe device for time-resolved serial femtosecond crystallography developed at SACLA
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journal
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August 2017 |
Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome
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journal
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August 2018 |
Carbonic anhydrase II microcrystals suitable for XFEL studies
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journal
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May 2018 |
Co-crystal structure of the i Mango-III fluorescent RNA aptamer using an X-ray free-electron laser
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journal
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August 2019 |
Sample delivery for serial crystallography at free-electron lasers and synchrotrons
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journal
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January 2019 |
Well-based crystallization of lipidic cubic phase microcrystals for serial X-ray crystallography experiments
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journal
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October 2019 |
Real-time crystallographic studies of the adenine riboswitch using an X-ray free-electron laser
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August 2017 |
Beyond crystallography: Diffractive imaging using coherent x-ray light sources
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April 2015 |
Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation
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September 2015 |
Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein
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journal
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May 2016 |
All-optical control and metrology of electron pulses
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April 2016 |
A three-dimensional movie of structural changes in bacteriorhodopsin
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journal
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December 2016 |
Protein ensembles link genotype to phenotype
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June 2019 |
Serial Femtosecond Crystallography
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text
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January 2015 |
Room-Temperature Macromolecular Crystallography Using a Micro-Patterned Silicon Chip with Minimal Background Scattering
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text
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January 2016 |
Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography
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January 2016 |
Short-wavelength free-electron laser sources and science: a review
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text
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January 2017 |
Demonstration of femtosecond X-ray pump X-ray probe diffraction on protein crystals
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text
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January 2018 |
Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser
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January 2018 |
Pump-Probe Time-Resolved Serial Femtosecond Crystallography at SACLA: Current Status and Data Collection Strategies
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December 2019 |
The light‐driven sodium ion pump: A new player in rhodopsin research
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November 2016 |
Monitoring one-electron photo-oxidation of guanine in DNA crystals using ultrafast infrared spectroscopy
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October 2015 |
High-speed fixed-target serial virus crystallography
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June 2017 |
Protein and RNA dynamical fingerprinting
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March 2019 |
Double-flow focused liquid injector for efficient serial femtosecond crystallography
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March 2017 |
Stochastic stimulated electronic x-ray Raman spectroscopy
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February 2016 |
Structural enzymology using X-ray free electron lasers
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December 2016 |
The 2015 super-resolution microscopy roadmap
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October 2015 |
Batch crystallization of rhodopsin for structural dynamics using an X-ray free-electron laser
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June 2015 |
Where is crystallography going?
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February 2018 |
Journey to the center of the protein: allostery from multitemperature multiconformer X-ray crystallography
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January 2019 |
The C‐terminal flexible region of branched‐chain polyamine synthase facilitates substrate specificity and catalysis
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June 2019 |
A guide to sample delivery systems for serial crystallography
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August 2019 |
Snapshots of a protein quake
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journal
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October 2015 |
Mapping few-femtosecond slices of ultra-relativistic electron bunches
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text
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January 2017 |
Structure-factor amplitude reconstruction from serial femtosecond crystallography of two-dimensional membrane-protein crystals
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text
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January 2019 |
Ultracompact 3D microfluidics for time-resolved structural biology
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text
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January 2020 |
Serial protein crystallography in an electron microscope
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January 2020 |
Recent Advances in Ultrafast Structural Techniques
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April 2019 |
X-ray Free Electron Laser Determination of Crystal Structures of Dark and Light States of a Reversibly Photoswitching Fluorescent Protein at Room Temperature
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journal
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September 2017 |
Towards Realistic Simulations of Macromolecules Irradiated under the Conditions of Coherent Diffraction Imaging with an X-ray Free-Electron Laser
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journal
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March 2015 |
Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography
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text
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January 2016 |
Atomic resolution structure determination by the cryo-EM method MicroED: Atomic Resolution Structure Determination
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August 2016 |
Simple convergent-nozzle aerosol injector for single-particle diffractive imaging with X-ray free-electron lasers
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journal
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June 2015 |
Demonstration of femtosecond X-ray pump X-ray probe diffraction on protein crystals
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journal
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September 2018 |
Watching proteins function with time-resolved x-ray crystallography
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journal
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August 2017 |
Membrane protein megahertz crystallography at the European XFEL
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text
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January 2019 |
Structural enzymology using X-ray free electron lasers
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text
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January 2017 |
The Single Particles, Clusters and Biomolecules and Serial Femtosecond Crystallography instrument of the European XFEL: initial installation
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text
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January 2019 |
Time-resolved serial femtosecond crystallography at the European XFEL
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text
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January 2019 |
Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography
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journal
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November 2016 |
Structure of CPV17 polyhedrin determined by the improved analysis of serial femtosecond crystallographic data
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journal
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March 2015 |
Serial Femtosecond Crystallography
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journal
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November 2015 |
High-viscosity injector-based pink-beam serial crystallography of microcrystals at a synchrotron radiation source
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text
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January 2019 |
Strategies for sample delivery for femtosecond crystallography
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text
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January 2019 |
Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser
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journal
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June 2018 |
Structure of the 30S ribosomal decoding complex at ambient temperature
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journal
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August 2018 |
Simple convergent-nozzle aerosol injector for single-particle diffractive imaging with X-ray free-electron lasers
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text
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January 2015 |
Supersaturation-controlled microcrystallization and visualization analysis for serial femtosecond crystallography
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text
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January 2018 |
Membrane protein megahertz crystallography at the European XFEL
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text
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January 2019 |
Evaluation of serial crystallographic structure determination within megahertz pulse trains
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text
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January 2019 |
Ultrafast Structural Changes Decomposed from Serial Crystallographic Data
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journal
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October 2019 |
Ceramic micro-injection molded nozzles for serial femtosecond crystallography sample delivery
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journal
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December 2015 |
Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate
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journal
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March 2019 |
A temperature-controlled cold-gas humidifier and its application to protein crystals with the humid-air and glue-coating method
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text
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January 2019 |
Biomolecular simulations: from dynamics and mechanisms to computational assays of biological activity
|
text
|
January 2019 |
Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography
|
text
|
January 2016 |
Ultracompact 3D microfluidics for time-resolved structural biology
|
text
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January 2020 |
Batch crystallization of rhodopsin for structural dynamics using an X-ray free-electron laser
|
text
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January 2015 |
Short-wavelength free-electron laser sources and science: a review
|
journal
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October 2017 |
Serial protein crystallography in an electron microscope
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text
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January 2020 |
Time-resolved structural studies with serial crystallography: A new light on retinal proteins
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text
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January 2015 |
The 2015 super-resolution microscopy roadmap
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text
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January 2017 |
Serial femtosecond crystallography structure of cytochrome c oxidase at room temperature
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journal
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July 2017 |
Perspective: On the relevance of slower-than-femtosecond time scales in chemical structural-dynamics studies
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journal
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February 2015 |
Improvements in serial femtosecond crystallography of photosystem II by optimizing crystal uniformity using microseeding procedures
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journal
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July 2015 |
Efficient electronic structure calculation for molecular ionization dynamics at high x-ray intensity
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journal
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May 2015 |
Possibilities for serial femtosecond crystallography sample delivery at future light sourcesa)
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journal
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May 2015 |
Data collection strategies for time-resolved X-ray free-electron laser diffraction, and 2-color methods
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journal
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June 2015 |
Preface for Special Issue on Biology with X-ray Lasers 2
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July 2015 |
Structural dynamics of a methionine γ-lyase for calicheamicin biosynthesis: Rotation of the conserved tyrosine stacking with pyridoxal phosphate
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journal
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April 2016 |
A short history of structure based research on the photocycle of photoactive yellow protein
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journal
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May 2017 |
Shaped cathodes for the production of ultra-short multi-electron pulses
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journal
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July 2017 |
Enzyme Intermediates Captured “on-the-fly” by Mix-and-Inject Serial Crystallography
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posted_content
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January 2018 |
Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography
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journal
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July 2019 |
Enzyme intermediates captured “on the fly” by mix-and-inject serial crystallography
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journal
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May 2018 |
The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography
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text
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January 2016 |
From protein structure to function via single crystal optical spectroscopy
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journal
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April 2015 |
Identifying and Visualizing Macromolecular Flexibility in Structural Biology
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journal
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September 2016 |
Protein Crystallography in Vaccine Research and Development
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journal
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June 2015 |
Macromolecular Nanocrystal Structural Analysis with Electron and X-Rays: A Comparative Review
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journal
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September 2019 |
Perspective: Opportunities for ultrafast science at SwissFEL
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text
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January 2017 |
A tool for visualizing protein motions in time-resolved crystallography
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text
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January 2020 |
Stochastic stimulated electronic x-ray Raman spectroscopy
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preprint
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January 2015 |