A5087527797- Advanced Topics in Algebra
- Computational Drug Discovery Methods
- Functional Equations Stability Results
- Mathematical and Theoretical Analysis
- Facial Nerve Paralysis Treatment and Research
- Protein Structure and Dynamics
- Advanced Operator Algebra Research
- Holomorphic and Operator Theory
- Inorganic Chemistry and Materials
- Reconstructive Surgery and Microvascular Techniques
- Advanced Algebra and Logic
- Migration, Aging, and Tourism Studies
- Synthesis and characterization of novel inorganic/organometallic compounds
- Enzyme Structure and Function
- Reconstructive Facial Surgery Techniques
- Ear Surgery and Otitis Media
- Microbial Natural Products and Biosynthesis
- Supramolecular Chemistry and Complexes
- Advanced Topology and Set Theory
- Advanced Chemical Physics Studies
- Molecular Sensors and Ion Detection
- Molecular spectroscopy and chirality
- Scientific Computing and Data Management
- RNA and protein synthesis mechanisms
- Evolutionary Algorithms and Applications
University of Oxford
2024
University of East Anglia
2020
University of Nottingham
1991-2017
NHS Greater Glasgow and Clyde
2017
Chiang Mai University
2015-2016
Southern Illinois University Edwardsville
2015
Southern California University for Professional Studies
2014
University of Southern California
2014
Canniesburn Hospital
2014
Glasgow Royal Infirmary
2008-2012
Identification of chemical compounds with specific biological activities is an important step in both biology and drug discovery. When the structure intended target available, one approach to use molecular docking programs assess complementarity small molecules target; such calculations provide a qualitative measure affinity that can be used virtual screening (VS) rank order list according their potential active. rDock program developed at Vernalis for high-throughput VS (HTVS) applications....
One of the current challenges in docking studies is inclusion receptor flexibility. This crucial because binding sites many therapeutic targets sample a wide range conformational states, which has major consequences on molecular recognition. In this paper, we make use very large sets X-ray structures cyclin dependent kinase 2 (CDK2) and heat shock protein 90 (HSP90) to assess performance flexible binding-mode prediction virtual screening experiments. Flexible performs much better than rigid...
The crystalline sodium salt of calix[4]arene-sulfonate 1 consists alternating organic and inorganic layers. Double layers the basketlike pentaanions alternate with ions water molecules; similarity structures clays is readily apparent. Acetone bound in cavity 1, O atom projecting into hydrophilic layer (see right).
This article describes the patient-centered Scalable National Network for Effectiveness Research (pSCANNER), which is part of recently formed PCORnet, a national network composed learning healthcare systems and patient-powered research networks funded by Patient Centered Outcomes Institute (PCORI). It designed to be stakeholder-governed federated that uses distributed architecture integrate data from three existing covering over 21 million patients in all 50 states: (1) VA Informatics...
The conformations of nisin and two major degradation products, nisin-(1-32)-peptide (nisin1-32) des-delta Ala5-nisin1-32 (where delta Ala is alpha beta-didehydroalanine), in aqueous solution have been determined from n.m.r. data. Sequential assignments the peptides using correlation spectroscopy (‘COSY‘), homonuclear Hartmann-Hahn (‘HOHAHA’), nuclear Overhauser enhancement (NOESY), relayed NOESY rotating-frame (ROESY) experiments are presented, including stereospecific beta-methylene protons...
Abstract Early detection of sepsis is key to ensure timely clinical intervention. Since very few end-to-end pipelines are publicly available, fair comparisons between methodologies difficult if not impossible. Progress further limited by discrepancies in the reconstruction onset time. This retrospective cohort study highlights variation performance predictive models under three subtly different interpretations from sepsis-III definition and compares this against inter-model differences. The...
Of interest for Ziegler–Natta systems with donor ligands are the structures of cations 1 and 2 . The cation [AlMe ] ⊕ is encapsulated by crown ethers in bound to three six oxygen atoms while it all five atoms; MeAlMe angle 141 ° , 178 ( contains [18]crown‐6, [15]crown‐5.) equation image
Alternierende organische und anorganische Schichten enthält kristallines Natrium‐Calix[4]arensulfonat 1 . Doppelschichten der korbartigen Pentaanionen wechseln mit von Natrium‐Ionen Wassermolekülen ab; die Ähnlichkeit Tonmineralstrukturen ist unübersehbar. Im Korbhohlraum wird Aceton gebunden, wobei das O‐Atom in hydrophile Schicht ragt (siehe rechts). magnified image
Many options of varying complexity are available for the management congenital short digits resulting from aphalangia in symbrachydactyly and constriction ring syndrome. We have used non-vascularized free toe phalanx transfers these children when a vascularized transfer has been contraindicated. describe our technique experience with 22 who underwent total 64 proximal (35) or middle (29) phalanges (average 3 per child). The mean age at initial surgery was 15 months, follow-up 5 years....
Human polymorphic epithelial mucins (PEM) are complex glycoproteins that associated with breast and ovarian carcinomas. The PEM core protein consists of variable numbers a tandem repeat sequence which contains short antigenic hydrophilic region (Pro1-Asp-Thr-Arg-Pro-Ala-Pro7). High-field n.m.r. studies undertaken on 20- 11-amino acid fragments the in dimethyl sulphoxide have identified type-I beta-turn to be present Pro1-Asp-Thr-Arg4. This includes overlaps (Asp2-Thr-Arg4) type-II...
Clin. Otolaryngol. 2012, 37 , 181–187 Objectives: To evaluate the Glasgow Facial Palsy Scale as a tool to assess facial reanimation surgery in palsy. Software analysis of digital video data is used measure movements, comparing affected normal side. We present first use following re‐animation surgery. Design: A comparison against Nottingham scoring system. Subjects undergoing unilateral surgical smile procedures were selected. Comparison was made with palsy scale and House‐Brackmann pre‐...
Von Interesse für Ziegler‐Natta‐Systeme mit Donorliganden sind die Strukturen der Kationen von 1 und 2 . Das Kation [AlMe ] ⊕ wird vom Kronenether umschlossen ist in an drei sechs, jedoch alle fünf Sauerstoffatome gebunden; Winkel Me‐Al‐Me betragen 141° 178°. ( enthält [18]Krone‐6, [15]Krone‐5.) magnified image
Abstract A hybrid conformational search algorithm (DMC) is described that combines a modified form of molecular dynamics with Metropolis Monte Carlo sampling, using the COSMIC(90) force field. Trial configurations are generated by short bursts high‐temperature in which initial kinetic energy focused into single bond rotations or alternatively “corner‐flapping” motions ring systems. Constant temperature and simulated annealing protocols have been applied to analysis several model hydrocarbons...
Swiss cheese sets are compact subsets of the complex plane obtained by deleting a sequence open disks from closed disk. Such have provided numerous counterexamples in theory uniform algebras. In this paper, we introduce topological space whose elements what call "abstract cheeses". Working within space, show how to prove existence "classical" (as discussed paper Feinstein and Heath 2010) with various desired properties. We first give new proof Feinstein-Heath classicalisation theorem. then...
Swiss cheese sets are compact subsets of the complex plane obtained by deleting a sequence open disks from closed disk. Such have provided numerous counterexamples in theory uniform algebras. In this paper, we introduce topological space whose elements what call “abstract cheeses”. Working within space, show how to prove existence “classical” (as discussed [6]) with various desired properties. We first give new proof Feinstein–Heath classicalisation theorem [6]. then consider when it is...