Items where Division is "Current Faculties > Faculty of Engineering and Physical Sciences > Chemistry and Chemical Engineering
Chemistry and Chemical Engineering" and Year is 2022
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Number of items: 129.
Type: Software
| 2022
| Zenodo
| Item not available on this server.
Type: Dataset
| 2022
| University of Southampton
Group 8: Challenge: Event detection in nanopore data - Wole Adewole, Halil Ibrahim Aysel, Stephen Gow, Zheng Jiang and Dimitrios Stamatis
Type: Monograph
| 2022
| University of Southampton
Mycobacterium tuberculosis senses host Interferon-γ via the membrane protein MmpL10 - Mohamed Ahmed, Jared Mackenzie, Liku Bekele Tezera, Robert Krause, Barry Truebody, Diana Garay Baquero, Andres Vallejo Pulido, Katya Govender, John Adamson, Hayden Fisher, Jonathan W. Essex, Salah Mansour, Paul Elkington, Adrie J. C. Steyn and Alasdair Leslie
Type: Article
| 2022
AI3SD video: curated large inorganic datasets of reconnected InChI, InChI and IUPAC name - Thomas Allam
Type: Conference or Workshop Item
| 2022
Finding gaps in routine TB surveillance activities in Bangladesh - A. Allorant, S. Biswas, S. Ahmed, K. E. Wiens, K. E. LeGrand, M. M. Janko, N. J. Henry, W. J. Dangel, A. Watson, B. F. Blacker, H. H. Kyu, J. M. Ross, M. S. Rahman, S. I. Hay and R. C. Reiner
Type: Article
| 2022
| Item not available on this server.
Improving the catalytic activity of Pt-Rh/C towards ethanol oxidation through the addition of Pb - Caio V.S. Almeida, Haoliang Huang, Andrea E. Russell, Katlin I.B. Eguiluz and Giancarlo R. Salazar-Banda
Type: Article
| 2022
Screen-printed bismuth telluride nanostructured composites for flexible thermoelectric applications - Aran Amin, Ruomeng Huang, Daniel Newbrook, Vikesh Sethi, Sheng Yong, Stephen Beeby and Iris S. Nandhakumar
Type: Article
| 2022
Printable bifluorene based ultra-violet (UV) organic light-emitting electrochemical cells (OLECs) with improved device performance - Sasikumar Arumugam, Yi Li, James E. Pearce, Katie L. Court, Giacomo Piana, Edward H. Jackman, Oliver J. Ward, Martin D.B. Charlton, John Tudor, David C. Harrowven and Steve P. Beeby
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
Surprising Chemistry of 6-Azidotetrazolo[5,1-a]phthalazine: What a purported natural product reveals about the polymorphism of explosives - Aaron Gabriel Nunez Avila, Benoit Deschenes Simard, Joseph, Edward Arnold, Mathieu Morency, Daniel Chartrand, Thierry Maris, Gilles Berger, Graeme M. Day, Stephen Hanessian and James D. Wuest
Type: Article
| 2022
Direct production of a hyperpolarized metabolite on a microfluidic chip - Sylwia, Joanna Barker, Laurynas Dagys, William G Hale, Barbara H Ripka, James Eills, Manvendra Sharma, Malcolm H. Levitt and Marcel Utz
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
Type: Dataset
| 2022
| University of Southampton
Rationally designed helical peptidomimetics disrupt α-synuclein fibrillation - Clementine, Ella Bavinton, Rebecca Sternke-Hoffmann, Tohru Yamashita, Peter Knipe, Andrew D. Hamilton, Jinghui Luo and Sam Thompson
Type: Article
| 2022
Li nucleation on the graphite anode under potential control in Li-ion batteries - Arihant Bhandari, Chao Peng, Jacek Dziedzic, John R. Owen, Denis Kramer and Chris Kriton Skylaris
Type: Article
| 2022
Probing the mechanisms of enhanced crystallisation of APS in the presence of ultrasound - Peter R. Birkin, Jack J. Youngs, Tadd T. Truscott and Silvana Martini
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
Monitoring CO2 storage sites onshore and offshore using InSAR data and strain sensing fibre optics cables - Bahman Bohloli, Christian Berndt, Tore I. Bjørnarå, Sarah Bouquet, Jean-Remi Dujardin, Ola Eiken, Audrey Estublier, Andre Fourno, Regula Frauenfelder, Jeremy Frey, Jens Karstens, Yeon-Kyeong Lee, Hector Marin-Moreno, Henrik Meland, Nazmul H. Mondol, Joonsang Park, Yong-Chan Park, Per M. Sparrevik, Ceri Vincent, Malte Vöge, Joshua White and Ziqiu Xue
Type: Conference or Workshop Item
| 2022
| Social Science Research Network
| Item not available on this server.
Towards the Development and Coordination Chemistry of Rotaxane- and Catenane-based Ligands - Theerapoom Boonprab
Type: Thesis
| 2022
| University of Southampton
| Item availability restricted.
Developing and evaluating implicit solvent models for catalytic metallic surfaces - Gabriel, Adrian Bramley
Type: Thesis
| 2022
| University of Southampton
Understanding adsorption of organics on Pt(111) in the aqueous phase: insights from DFT based implicit solvent and statistical thermodynamics models - Gabriel, Adrian Bramley, Manh-Thuong Nguyen, Vassiliki-Alexandra Glezakou, Roger Rousseau and Chris-Kriton Skylaris
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
Self-assembly of [Sn(OPMe3)3(CF3SO3)2]6 metallocyclic Sn(ii) hexamer stacks with CF3-lined channel interiors - Kelsey R. Cairns, Rhys P. King, William Levason and Gillian Reid
Type: Article
| 2022
Theory and simulation framework for the relaxation of nuclear spin order in porous media - Topaz A. A. Cartlidge, Thomas B. R. Robertson, Marcel Utz and Giuseppe Pileio
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
Roles and opportunities for machine learning in organic molecular crystal structure prediction and its applications - Rebecca Jane Clements, Joshua Thomas Dickman, Jay Johal, Jennifer Eleanor Martin, Joseph Glover and Graeme M. Day
Type: Article
| 2022
Design of experiment study of the seeding of magnesium sulfate solutions - S. J. Coles, D. I. Robinson, A. Davesne and T. L. Threlfall
Type: Article
| 2022
Synthesis of Novel Cubane Scaffolds - Diego, Edgard Collin
Type: Thesis
| 2022
| University of Southampton
Hyperpolarization read-out through rapidly rotating fields in the zero- and low-field regime - Laurynas Dagys and Christian Bengs
Type: Article
| 2022
Methods for accurate and efficient simulation of the conformational landscape of ligands - Joao Pedro Dos Santos Morado
Type: Thesis
| 2022
| University of Southampton
Type: Dataset
| 2022
| University of Southampton
Type: Dataset
| 2022
| University of Southampton
Type: Article
| 2022
Cathodic radical cyclisation of aryl halides using a strongly-reducing catalytic mediator in flow - Ana Folgueiras Amador, Alexander Teuten, Mateo Salam Perez, James Pearce, Guy Denuault, Derek Pletcher, Phillip James Parsons, David C. Harrowven and Richard C.D. Brown
Type: Article
| 2022
Transient vibration and product formation of photoexcited CS2 measured by time-resolved X-ray scattering - Ian Gabalski, Malick Sere, Kyle Acheson, Felix Allum, Sebastien Boutet, Gopal Dixit, Ruaridh Forbes, James M. Glownia, Nathan Goff, Kareen Hegazy, Andrew J. Howard, Mengning Liang, Michael P. Minitti, Russell Minns, Adi Natan, Nolan Peard, Weronika Olimpia Razmus, Roseanne J Sension, Matthew R. Ware, Peter M. Weber, Nicholas Werby, Thomas J.A. Wolf, Adam Kirrander and Phillip H. Bucksbaum
Type: Article
| 2022
Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte Carlo - Yunhui Ge, Oliver J. Melling, Weiming Dong, Jonathan W. Essex and David L. Mobley
Type: Article
| 2022
Using molecular dynamics to simulate realistic structures of nitrocellulose of different nitration levels - Catriona Gibbon, Poppy Di Pietro, Mark Storr, Duncan Broughton and Chris Kriton Skylaris
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
Type: Dataset
| 2022
| University of Southampton
Anion-π catalysis enabled by the mechanical bond - Stephen Goldup, John Maynard, Bartomeu Galmés, Athanasios Stergiou, Mark Symes and Antonio Frontera
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
BRD4: Quantum mechanical protein-ligand binding free energies using the full-protein DFT-based QM-PBSA method - Lennart Gundelach, Thomas Fox, Chris-Kriton Skylaris and Christofer Tautermann
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
Advancements in the characterisation of oligonucleotides by high performance liquid chromatography-mass spectrometry in 2021: A short review - Fabien Hannauer, Rachelle Black, Andrew D. Ray, Eugen Stulz, G. John Langley and Stephen W. Holman
Type: Review
| 2022
AI3SD Video: Translating innovations out of the lab and into the clinic: the importance of data curation, AI and ML? - Jennifer R. Hiscock and Thomas Allam
Type: Conference or Workshop Item
| 2022
Synthesis and 83Kr NMR spectroscopy of Kr@C60 - Gabriela Hoffman, George R. Bacanu, Elizabeth Marsden, Mark Walkey, Mohamed Sabba, Sally Bloodworth, Graham J. Tizzard, Malcolm H. Levitt and Richard J. Whitby
Type: Article
| 2022
Ab initio study of lithium intercalation into a graphite nanoparticle - Julian Holland, Arihant Bhandari, Denis Kramer, Victor Milman, Felix Hanke and Chris Kriton Skylaris
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
The extensive solid-form landscape of sulfathiazole: hydrogen-bond topology and node shape - David S. Hughes, Ann L. Bingham, Michael B. Hursthouse, Terry L. Threlfall and Andrew D. Bond
Type: Article
| 2022
The synthesis and glycoside formation of polyfluorinated carbohydrates - Kler Huonnic and Bruno Linclau
Type: Review
| 2022
Single photon double and triple ionization of allene - Veronica Ideböhn, Alistair J. Sterling, Måns Wallner, Emelie Olsson, Richard J. Squibb, Ugne Miniotaite, Emma Forsmalm, Malin Forsmalm, Stefano Stranges, John Dyke, Fernanda Duarte, John H. D. Eland and Raimund Feifel
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
Terahertz spectroscopy of the helium endofullerene He@C60 - Tanzeeha Jafari, George Razvan Bacanu, Anna Shugai, Urmas Nagel, Mark Walkey, Gabriela Hoffman, Malcolm H. Levitt, Richard J. Whitby and Toomas Rõõm
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
Characterizing the beta-catenin interactome using inhibitor screens and novel interaction proteomics techniques - S. John, R. Ewing, M. Baud, N. Divecha and P. Skipp
Type: Meeting abstract
| 2022
| Item not available on this server.
Neural networks in pulsed dipolar spectroscopy: a practical guide - Jake Keeley, Tajwar Choudhury, Laura Galazzo, Enrica Bordignon, Akiva Feintuch, Daniella Goldfarb, Hannah Russell, Michael J Taylor, Janet E. Lovett, Andrea Eggeling, Luis Fábregas Ibáñez, Katharina Keller, Maxim Yulikov, Gunnar Jeschke and Ilya Kuprov
Type: Article
| 2022
Optimization of amperometric biosensor design using mathematical modelling and simulation - Muhammad Hashim Khan and Philip N. Bartlett
Type: Conference or Workshop Item
| 2022
Neutral and cationic complexes of silicon(IV) halides with phosphine ligands - Rhys King, John Dyke, William Levason and Gillian Reid
Type: Article
| 2022
Type: Book Section
| 2022
| Elsevier Inc.
| Item not available on this server.
Insight into the activity and selectivity of nanostructured copper titanates during electrochemical conversion of CO2 at neutral pH via in situ X-ray absorption spectroscopy - Matthew J. Lawrence, Verónica Celorrio, Elizabeth Sargeant, Haoliang Huang, Joaquín Rodríguez-López, Yuanmin Zhu, Meng Gu, Andrea E. Russell and Paramaconi Rodriguez
Type: Article
| 2022
Investigation of Factors Affecting the Stability of Compounds formed by Isovalent Substitution in Layered Oxychalcogenides, Leading to Identification of Ba3Sc2O5Cu2Se2, Ba3Y2O5Cu2S2, Ba3Sc2O5Ag2Se2 and Ba3In2O5Ag2Se2 - Gregory J. Limburn, Daniel W. Davies, Neil Langridge, Zahida Malik, Benjamin A.D. Williamson, David O. Scanlon and Geoffrey Hyett
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
Temperature dependence of hard carbon performance in sodium half-cells with 1 M NaClO4 in EC/DEC electrolyte - Bowen Liu, Andrew L. Hector, Weronika O. Razmus and Richard G.A. Wills
Type: Article
| 2022
Cathodes for electrochemical carbon dioxide reduction to multi-carbon products: part I : a focused review of recent highlights - Harry Macpherson, Toby Hodges, Moyahabo Hellen Chuma, Connor Sherwin, Urša Podbevšek, Katie Rigg, Veronica Celorrio, Andrea Russell and Elena C. Corbos
Type: Article
| 2022
Artificial intelligence and ethics within the food sector:: developing a common language for technology adoption across the supply chain - Louise Manning, Steve Brewer, Peter Craigon, Jeremy Frey, Anabel Gutierrez, Naomi Jacobs, Samantha Kanza, Samuel Munday, Justin Sacks and Simon Pearson
Type: Review
| 2022
Type: Dataset
| 2022
| University of Southampton
Biophysical survey of small-molecule β-catenin inhibitors: a cautionary tale - Michael, Arron McCoy, Dominique Spicer, Neil J. Wells, Kurt Hoogewijs, Marc Fiedler and Matthias G.J. Baud
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
Disentangling sequential and concerted fragmentations of molecular polycations with covariant native frame analysis - Joseph W. Mcmanus, Tiffany Walmsley, Kiyonobu Nagaya, James R. Harries, Yoshiaki Kumagai, Hiroshi Iwayama, Michael N.R. Ashfold, Mathew Britton, Philip H. Bucksbaum, Briony Downes-Ward, Taran Driver, David Heathcote, Paul Hockett, Andrew J. Howard, Edwin Kukk, Jason W. L. Lee, Yusong Liu, Dennis Milesevic, Russell S. Minns, Akinobu Niozu, Johannes Niskanen, Andrew J. Orr-ewing, Shigeki Owada, Daniel Rolles, Patrick A. Robertson, Artem Rudenko, Kiyoshi Ueda, James Unwin, Claire Vallance, Michael Burt, Mark Brouard, Ruaridh Forbes and Felix Allum
Type: Article
| 2022
Multichannel photodissociation dynamics in CS2 studied by ultrafast electron diffraction - Russell Minns, Weronika, Olimpia Razmus and Emily Warne
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
Type: Dataset
| 2022
| University of Southampton
AC-assisted deposition of aggregate free silica films with vertical pore structure - Gilles, Ernest Heinrich Karl Moehl, Tauqir Nasir, Yisong Han, Yasir Noori, Ruomeng Huang, Richard Beanland, Philip N. Bartlett and Andrew L. Hector
Type: Article
| 2022
Increasing the diameter of vertically aligned, hexagonally ordered pores in mesoporous silica thin films - Nabil, Ahmed - Nooh Mohamed, Yisong Han, Andrew L. Hector, Anthony Houghton, Elwin Hunter-Sellars, Gillian Reid, Daryl Williams and Wenjian Zhang
Type: Article
| 2022
Utilizing broadband wavelength-division multiplexing capabilities of hollow-core fiber for quantum communications - Umberto Nasti, Hesham Sakr, Ian A. Davidson, Francesco Poletti and Ross J. Donaldson
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
An experimental and theoretical characterization of the electronic structure of doubly ionised disulfur - Emelie Olsson, Tarek Ayari, Veronica Ideböhn, Måns Wallner, Richard J. Squibb, Jonas Andersson, Andreas Hult Roos, Stefano Stranges, John Dyke, John H. D. Eland, Majdi Hochlaf and Raimund Feifel
Type: Article
| 2022
Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility - Christian M. Orr, Hayden Fisher, Xiaojie Yu, Claude H.T. Chan, Yunyun Gao, Patrick Duriez, Steven Booth, Isabel, Grace Elliott, Tatyana Inzhelevskaya, Christopher Mockridge, Christine Penfold, Armin Wagner, Martin Glennie, Ann L White, Jonathan W. Essex, Arwen R. Pearson, Mark Cragg and Ivo Tews
Type: Article
| 2022
Type: Thesis
| 2022
| University of Southampton
| Item availability restricted.
Development of a flow electrochemical method for effecting reductive radical and radical–polar crossover reactions with non–sacrificial electrodes - James, Edward Pearce
Type: Thesis
| 2022
| University of Southampton
| Item availability restricted.
Electroless deposition of tellurium nanowires in eutectic solvents using immobilised silver islands - Samuel C. Perry, Joshua White and Iris Nandhakumar
Type: Article
| 2022
Fully automated characterization of protein-peptide binding by microfluidic 2D NMR - Marek Plata, Manvendra Sharma, Marcel Utz and Jörn M. Werner
Type: Article
| 2022
Combined spectroscopic and computational study for optimising catalyst design in hydrocarbon transformations - Matthew E. Potter, J. J.M. Le Brocq, A. E. Oakley, H. Cavaye, Bart D. Vandegehuchte and Robert Raja
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
Student perspectives on online lectures during the Covid-19 lockdown - David Read, Stephen Barnes and Paul Wilson
Type: Article
| 2022
Supporting student collaboration in online breakout rooms through interactive group activities - David Read, Stephen M. Barnes, Oliver Hughes, Iveta T Ivanova, Annabelle Sessions and Paul J. Wilson
Type: Article
| 2022
How well does molecular simulation reproduce environment-specific conformations of the intrinsically disordered peptides PLP, TP2 and ONEG? - Lauren M. Reid, Ileana Guzzetti, Tor Svensson, Anna Carin Carlsson, Wu Su, Tomas Leek, Lena von Sydow, Werngard Czechtizky, Marija Miljak, Chandra Verma, Leonardo De Maria and Jonathan W. Essex
Type: Article
| 2022
Interlocked molecules with unusual properties: luminescent rotaxanes and mechanically chiral catenanes - Federica Rizzi
Type: Thesis
| 2022
| University of Southampton
| Item availability restricted.
High pressure promoted dearomatization of nitroarenes by [4+2] cycloadditions with silyloxydienes - Batoul Rkein, Romain Coffinier, Marian Elise Powderly, Maxime Manneveau, Morgane Sanselme, Muriel Durandetti, Muriel Sebban, Ghanem Hamdoun, Hassan Oulyadi, David C. Harrowven, Julien Legros and Isabelle Chataigner
Type: Article
| 2022
Single-crystal to single-crystal addition of H2to [Ir(iPr-PONOP)(propene)][BArF4] and comparison between solid-state and solution reactivity - Cameron G. Royle, Lia Sotorrios, Matthew R. Gyton, Claire N. Brodie, Arron L. Burnage, Samantha K. Furfari, Anna Marini, Mark R. Warren, Stuart A. MacGregor and Andrew S. Weller
Type: Article
| 2022
A co-conformationally “topologically” chiral catenane - Arnau, Rodriguez Rubio, Andrea Savoini, Florian Modicom, Patrick, Walter Villers Butler and Stephen Goldup
Type: Article
| 2022
Symmetry-based singlet-triplet excitation in solution nuclear magnetic resonance - Mohamed Sabba, Nino Wili, Christian Bengs, James W. Whipham, Lynda J. Brown and Malcolm H. Levitt
Type: Article
| 2022
Type: Thesis
| 2022
| University of Southampton
Type: Dataset
| 2022
| Zenodo
| Item not available on this server.
Type: Dataset
| 2022
| Zenodo
| Item not available on this server.
Type: Dataset
| 2022
| University of Southampton
Confining the growth of mesoporous silica films into nanospaces: towards surface nanopatterning - Samantha Soulé, Gilles E. Moehl, Ruomeng Huang, Yasir J. Noori, Kian Shen Kiang, C. H. Kees de Groot, Richard Beanland, David C. Smith and Andrew L. Hector
Type: Article
| 2022
Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C - Joseph Richard Stephenson Clarke, Leon R Douglas, Patrick Duriez, Dimitrios-Ilias Balourdas, Andreas C. Joerger, Raniya Khadiullina, Emil Bulatov and Matthias G.J. Baud
Type: Article
| 2022
New Approaches to Ondansetron and Alosetron Inspire a Versatile, Flow Photochemical Method for Indole Synthesis - Wei Sun, William Raimbach, Luke D. Elliott, Kevin I. Booker-Milburn and David C. Harrowven
Type: Article
| 2022
Evaluating and improving the robustness of alchemical binding free energy calculations using adaptive enhanced sampling methods - Miroslav Suruzhon
Type: Thesis
| 2022
| University of Southampton
Enhancing ligand and protein sampling using sequential Monte Carlo - Miroslav Suruzhon, Michael S. Bodnarchuk, Antonella Ciancetta, Ian D. Wall and Jonathan W. Essex
Type: Article
| 2022
Type: Thesis
| 2022
| University of Southampton
| Item availability restricted.
Type: Thesis
| 2022
| University of Southampton
Type: Dataset
| 2022
| University of Southampton
New insights in establishing the structure-property relations of novel plasmonic nanostructures for clean energy applications - Priyanka Verma, Yasutaka Kuwahara, Kohsuke Mori, Robert Raja and Hiromi Yamashita
Type: Article
| 2022
Development of hybrid catalysts for the conversion of CO2 into sustainable marine fuels - Maciej G. Walerowski, Matthew E. Potter, Stylianos Kyrimis, Lindsay-Marie Armstrong and Robert Raja
Type: Conference or Workshop Item
| 2022
Anodic Sb2S3 electrodeposition from a single source precursor for resistive random-access memory devices - A.G. Wallace, R.P. King, N. Zhelev, A.H. Jaafar, W. Levason, R. Huang, G. Reid and P.N. Bartlett
Type: Article
| 2022
Impact on S. aureus and E. coli membranes of treatment with chlorhexidine and alcohol solutions: insights from molecular simulations and nuclear magnetic resonance - Callum Waller, Jan Marzinek, Eilish McBurnie, Peter J. Bond, Philip T.F. Williamson and Syma Khalid
Type: Article
| 2022
| Item availability restricted.
Multi-excitation Raman spectroscopy for label-free, strain-level characterization of bacterial pathogens in artificial sputum media - Jeremy Webb, Adam Lister, Callum Highmore, Niall Hanrahan, James, Arthur Read, Alasdair, Peter Stuart Munro, Samuel Tan, Raymond Allan, Saul Faust and Sumeet Mahajan
Type: Article
| 2022
Type: Dataset
| 2022
| University of Southampton
Cross-correlation effects in the solution NMR spectra of near equivalent spin-1/2 pairs - James Whipham, Gamal Moustafa, Mohamed Sabba, Weidong Gong, Christian Bengs and Malcolm H. Levitt
Type: Article
| 2022
The development of flow photochemical methods for the synthesis of Phenanthrenes, Helicenes and Benzochromenes - Luke Wilding-Steele
Type: Thesis
| 2022
| University of Southampton
| Item availability restricted.
Type: Dataset
| 2022
| University of Southampton
| Item availability restricted.
Higher affinity antibodies bind with lower hydration and flexibility in large scale simulations - Mabel Tung Yuet Wong, Sebastian Kelm, Xiaofeng Liu, Richard D. Taylor, Terry Baker and Jonathan W. Essex
Type: Article
| 2022
The role of hydration and flexibility in computational antibody design - Mabel, Tung Yuet Wong
Type: Thesis
| 2022
| University of Southampton
Type: Dataset
| 2022
| University of Southampton
Fluoro-Germanium (IV) Cations with Neutral Co-Ligands—Synthesis, Properties and Comparison with Neutral GeF4 Adducts - Madeleine S. Woodward, Rhys P. King, Robert D. Bannister, Julian Grigg, Graeme McRobbie, William Levason and Gillian Reid
Type: Article
| 2022
Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ˙− salts - Bingjia Yan, Peter Horton, Simon Weston, Christopher J. Wedge, Andrea E. Russell and Martin Grossel
Type: Article
| 2022
Global analysis of the energy landscapes of molecular crystal structures by applying the threshold algorithm - Shiyue Yang and Graeme M. Day
Type: Article
| 2022
Biochemical studies of the radical SAM enzyme HydG - Nicola Claire Yaxley
Type: Thesis
| 2022
| University of Southampton
Type: Dataset
| 2022
| University of Southampton
Type: Dataset
| 2022
| University of Southampton
Type: Dataset
| 2022
| University of Southampton
Type: Dataset
| 2022
| University of Southampton
Understanding bubble dynamics within sonicated edible lipids to enhance their physicochemical properties - Jack John Youngs
Type: Thesis
| 2022
| University of Southampton
Type: Dataset
| 2022
| University of Southampton
Analogy powered by prediction and structural invariants: computationally-led discovery of a mesoporous hydrogen-bonded organic cage crystal - Qiang Zhu, Jay Johal, Dan E. Widdowson, Zhongfu Pang, Boyu Li, Christopher M. Kane, Vitaliy Kurlin, Graeme M. Day, Marc A. Little and Andrew I. Cooper
Type: Article
| 2022
Uncovering cryptic pockets in the SARS-CoV-2 spike glycoprotein - Lorena Zuzic, Firdaus Samsudin, Aishwary T. Shivgan, Palur V. Raghuvamsi, Jan K. Marzinek, Alister Boags, Conrado Pedebos, Nikhil K. Tulsian, Jim Warwicker, Paul MacAry, Max Crispin, Syma Khalid, Ganesh S. Anand and Peter J. Bond
Type: Article
| 2022