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Dynamics and kinetics in structural biology: the example of DNA photolyase Open

Keith Moffat · 2025

All biochemical reactions directly involve structural changes that may occur over a very wide range of timescales from femtoseconds to seconds. Understanding the mechanism of action thus requires determination of both the static structures…

Publisher Correction: Development and assessment of a machine learning tool for predicting emergency admission in Scotland Open

James Liley, Gergő Bohner, Samuel R. Emerson, Bilal A. Mateen, Katie Borland , et al. · 2024

Development and assessment of a machine learning tool for predicting emergency admission in Scotland Open

James Liley, Gergő Bohner, Samuel R. Emerson, Bilal A. Mateen, Katie Borland , et al. · 2024

Emergency admissions (EA), where a patient requires urgent in-hospital care, are a major challenge for healthcare systems. The development of risk prediction models can partly alleviate this problem by supporting primary care interventions…

Power Grid Parameter Estimation Without Phase Measurements: Theory and Empirical Validation Open

Jean-Sébastien Brouillon, Keith Moffat, Florian Dörfler, Giancarlo Ferrari‐Trecate · 2024

Reliable integration and operation of renewable distributed energy resources requires accurate distribution grid models. However, obtaining precise models is often prohibitively expensive, given their large scale and the ongoing nature of …

Grid-Enhanced, Mobility-Integrated Network Infrastructures for Extreme Fast Charging (GEMINI-XFC) Open

Andrew Meintz, Tim Lipman, Bryan Palmintier, Matteo Muratori, Nadia Panossian , et al. · 2024

GEMINI-XFC will use first-of-a-kind integrated high-fidelity grid and transport modeling to identify effective pathways for widespread electrification, to design and evaluate integrated vehicle-grid control schemes, and to optimize electri…

The Experiment Open

Keith Moffat, Eaton E. Lattman · 2023

Experimental, X-ray-based approaches to structural dynamics have been transformed by special purpose beamlines at SR sources and now by the advent of XFEL sources. Dynamic experiments have unusual features that distinguish them from a rela…

Index Open

Keith Moffat, Eaton E. Lattman · 2023

ABC ATPases 115 absorption of light 57-63 accelerated molecular dynamics 120 accuracy changes on freezing 39-40 experimental approaches 43-44 activated complexes 37 activation energy 35-37 activity in crystals 3-6 see also dynamics; kineti…

Introduction Open

Keith Moffat, Eaton E. Lattman · 2023

The distinction between dynamics and kinetics is critical and extends beyond terminology to the fundamentals of experimental approaches. An experiment in dynamics probes the variation with time of a property of a single molecule or entity …

Looking Forward Open

Keith Moffat, Eaton E. Lattman · 2023

A major goal of many fields is to undo the reductionism intelligently, to understand function and mechanism at many levels of integration while fully incorporating the understanding and predictive capacity embodied in molecular structures.…

Data Analysis and Interpretation Open

Keith Moffat, Eaton E. Lattman · 2023

In time-resolved crystallography, innovations are being rapidly introduced into data analysis and interpretation of Difference Electron Density (DED) maps. Several physical and chemical constraints apply to analysis of all dynamic, structu…

Review of Crystallography Open

Keith Moffat, Eaton E. Lattman · 2023

A TR crystallography experiment is underlain by a set of conventional crystallography experiments carried out at a series of time points.This appendix provides a review of the elements of crystallography that presumes some previous exposur…

Factors associated with recruitment to randomised controlled trials in general practice: a systematic mixed studies review Open

Keith Moffat, Wen Shi, Paul J. Cannon, Frank Sullivan · 2023

Background A common challenge for randomised controlled trials (RCTs) is recruiting enough participants to be adequately powered to answer the research question. Recruitment has been set as a priority research area in trials to improve rec…

Light-induced protein structural dynamics in bacteriophytochrome revealed by time-resolved x-ray solution scattering Open

Sang Jin Lee, Tae Wu Kim, Jong Goo Kim, Cheolhee Yang, So Ri Yun , et al. · 2022

Bacteriophytochromes (BphPs) are photoreceptors that regulate a wide range of biological mechanisms via red light–absorbing (Pr)–to–far-red light–absorbing (Pfr) reversible photoconversion. The structural dynamics underlying Pfr-to-Pr phot…

Robust online joint state/input/parameter estimation of linear systems Open

Jean-Sébastien Brouillon, Keith Moffat, Florian Dörfler, Giancarlo Ferrari‐Trecate · 2022

This paper presents a method for jointly estimating the state, input, and parameters of linear systems in an online fashion. The method is specially designed for measurements that are corrupted with non-Gaussian noise or outliers, which ar…

Using Voltage Phasor Control to Avoid Distribution Network Constraint Violations Open

Keith Moffat, Alexandra von Meier · 2022

In this paper, we introduce Voltage Phasor Control (VPC), also known as Phasor Based Control, as a novel way of implementing Optimal Power Flow (OPF). Unlike conventional OPF, in which the power flow optimization broadcasts power injection…

Development and assessment of a machine learning tool for predicting emergency admission in Scotland Open

James Liley, Gergő Bohner, Samuel R. Emerson, Bilal A. Mateen, Katie Borland , et al. · 2021

Emergency admissions (EA), where a patient requires urgent in-hospital care, are a major challenge for healthcare systems. The development of risk prediction models can partly alleviate this problem by supporting primary care interventions…

Bayesian Error-in-Variables Models for the Identification of Power\n Networks Open

Jean-Sébastien Brouillon, Emanuele Fabbiani, Pulkit Nahata, Keith Moffat, Florian Dörfler , et al. · 2021

The increasing integration of intermittent renewable generation, especially\nat the distribution level,necessitates advanced planning and optimisation\nmethodologies contingent on the knowledge of thegrid, specifically the\nadmittance matr…

A systematic review of the application of machine learning methods for patient recruitment through electronic health records (Preprint) Open

Wen Shi, Keith Moffat, Tom Kelsey, Frank Sullivan · 2021

BACKGROUND Electronic health records (EHRs) provide potential for more efficient patient recruitment into clinical studies. In recent years, machine learning techniques have gained increasing popularity in EHR-based research, with several…

The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser Open

Elin Claesson, Weixiao Yuan Wahlgren, Heikki Takala, Suraj Pandey, Leticia Castillon , et al. · 2020

Phytochrome proteins control the growth, reproduction, and photosynthesis of plants, fungi, and bacteria. Light is detected by a bilin cofactor, but it remains elusive how this leads to activation of the protein through structural changes.…

Author response: The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser Open

Elin Claesson, Weixiao Yuan Wahlgren, Heikki Takala, Suraj Pandey, Leticia Castillon , et al. · 2020

Article Figures and data Abstract eLife digest Introduction Results Discussion Materials and methods Data availability References Decision letter Author response Article and author information Metrics Abstract Phytochrome proteins control …

What do we know about demand, use and outcomes in primary care out-of-hours services? A systematic scoping review of international literature Open

Hamish Foster, Keith Moffat, Nicola Burns, Maria Gannon, Sara Macdonald , et al. · 2020

Objective To synthesise international evidence for demand, use and outcomes of primary care out-of-hours health services (OOHS). Design Systematic scoping review. Data sources CINAHL; Medline; PsyARTICLES; PsycINFO; SocINDEX; and Embase fr…

The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser Open

Elin Claesson, Weixiao Yuan Wahlgren, Heikki Takala, Suraj Pandey, Leticia Castillon , et al. · 2019

Phytochrome proteins control the growth, reproduction, and photosynthesis of plants, fungi, and bacteria. Light is detected by a bilin cofactor, but it remains elusive how this leads to activation of the protein through structural changes.…

Factors associated with recruitment to randomised controlled trials in general practice: protocol for a systematic review Open

Keith Moffat, Paul J. Cannon, Wen Shi, Frank Sullivan · 2019

PROSPERO, CRD42018100695 . Registered on 03 July 2018.

Laue diffraction and time-resolved crystallography: a personal history Open

Keith Moffat · 2019

A personal, historical view is presented of Laue X-ray diffraction and its application to time-resolved studies of dynamic processes, largely in light-sensitive biological systems. In Laue diffraction, a stationary crystal is illuminated b…

A patient-centred intervention to improve the management of multimorbidity in general practice: the 3D RCT Open

Chris Salisbury, Mei‐See Man, Katherine Chaplin, Cindy Mann, Peter Bower , et al. · 2019

Background People with multimorbidity experience impaired quality of life, poor health and a burden from treatment. Their care is often disease-focused rather than patient-centred and tailored to their individual needs. Objective To implem…

Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome Open

Nicole C. Woitowich, A.S. Halavaty, Patricia Waltz, Christopher Kupitz, Joseph Valera , et al. · 2018

Phytochromes are red-light photoreceptors that were first characterized in plants, with homologs in photosynthetic and non-photosynthetic bacteria known as bacteriophytochromes (BphPs). Upon absorption of light, BphPs interconvert between …

Management of multimorbidity using a patient-centred care model: a pragmatic cluster-randomised trial of the 3D approach Open

Chris Salisbury, Mei‐See Man, Peter Bower, Bruce Guthrie, Katherine Chaplin , et al. · 2018

Small crystals, fast dynamics and noisy data are indeed beautiful Open

Keith Moffat · 2017

Structural biology at hard X-ray free-electron lasers is evolving rapidly beyond the experimental styles long established at storage ring sources. The comprehensive review by John Spence [IUCrJ (2017), 4, 322-339] provides ma…

Bacteriophytochrome Photoisomerization Proceeds Homogeneously Despite Heterogeneity in Ground State Open

Cheng Wang, Moira L. Flanagan, Ryan D. McGillicuddy, Haibin Zheng, Alan R. Ginzburg , et al. · 2016

The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography Open

Petra Edlund, Heikki Takala, Elin Claesson, Léocadie Henry, Robert Dods , et al. · 2016

Phytochromes are a family of photoreceptors that control light responses of plants, fungi and bacteria. A sequence of structural changes, which is not yet fully understood, leads to activation of an output domain. Time-resolved serial femt…

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