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Yusuf Hamied Department of Chemistry

 

Publications

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  • Currently displaying 361 - 380 of 29347 publications
Development of an Automated Workflow for Screening the Assembly and Host-Guest Behaviour of Metal-Organic Cages towards Accelerated Discovery
A Basford, AH Bernardino, P Teeuwen, B Egleston, J Humphreys, K Jelfs, J Nitschke, I Riddell, R Greenaway
(2024)
(doi: 10.26434/chemrxiv-2024-hl427-v4)
Efficient Composite Infrared Spectroscopy: Combining the Double-Harmonic Approximation with Machine Learning Potentials
P Pracht, Y Pillai, V Kapil, G Csányi, N Gönnheimer, M Vondrák, JT Margraf, DJ Wales
– Journal of Chemical Theory and Computation
(2024)
20,
10986
(doi: 10.1021/acs.jctc.4c01157)
Pd-Catalyzed C-H Activation vs β-H Elimination: An Experimental and Computational Insight into the Reactivity of Tertiary Alkylamines
J Rodrigalvarez, MJ Gaunt
– ACS Catalysis
(2024)
14,
18831
(doi: 10.1021/acscatal.4c06160)
Tensor Train Optimization for Conformational Sampling of Organic Molecules
C Zurek, RA Mallaev, A Paul, N van Staalduinen, P Pracht, R Ellerbrock, C Bannwarth
(2024)
(doi: 10.26434/chemrxiv-2024-jjns1-v2)
On the increase of the melting temperature of water confined in one-dimensional nano-cavities
F Della Pia, A Zen, V Kapil, FL Thiemann, D Alfè, A Michaelides
– Journal of Chemical Physics
(2024)
161,
224706
(doi: 10.1063/5.0239452)
Introduction to machine learning potentials for atomistic simulations
FL Thiemann, N O'Neill, V Kapil, A Michaelides, C Schran
– J Phys Condens Matter
(2024)
37,
073002
(doi: 10.1088/1361-648X/ad9657)
Measurements of N2+ ions in an inductively coupled plasma using saturated cavity ringdown spectroscopy
SDA Rogers, C Kniebe-Evans, R Peverall, G Hancock, BJ Rhodes, GAD Ritchie
– Plasma Sources Science and Technology
(2024)
33,
125002
(doi: 10.1088/1361-6595/ad934f)
Studies on approaches for sequencing cytosine modifications and the identification of their protein readers
JM Edgerton
(2024)
(doi: 10.17863/CAM.116687)
The role of Li⋯F interactions in lithium and heterobimetallic lithium–magnesium complexes of the hexafluoroisopropoxide anion
A Terzopoulos, R Marinho Fonseca, AD Bond, CP Grey, DS Wright
– Polyhedron
(2024)
267,
117322
(doi: 10.1016/j.poly.2024.117322)
High-affinity A/T-rich DNA binding with a dimeric bisbenzamidine
D Bouzada, A Paul, MI Sánchez, B Domínguez-Asenjo, E Lence, M Melle-Franco, A Ardá, N Barreiro-Piñeiro, C Penas, J Gómez-González, J Jiménez-Barbero, J Moreno, C González-Bello, WD Wilson, JL Mascareñas, ME Vázquez
– NAR Molecular Medicine
(2024)
1,
ugae022
(doi: 10.1093/narmme/ugae022)
Cell Painting: a decade of discovery and innovation in cellular imaging.
S Seal, M-A Trapotsi, O Spjuth, S Singh, J Carreras-Puigvert, N Greene, A Bender, AE Carpenter
– Nat Methods
(2024)
22,
254
(doi: 10.1038/s41592-024-02528-8)
Intermolecular Asymmetric Arylative Dearomatization of 1-Naphthols.
M Kadarauch, TA Moss, RJ Phipps
– Journal of the American Chemical Society
(2024)
146,
34970
(doi: 10.1021/jacs.4c14754)
Selective lithium halide ion-pair sensing by a dynamic metalloporphyrin [2]rotaxane
JT Wilmore, A Docker, PD Beer
– Dalton Transactions
(2024)
54,
1425
(doi: 10.1039/d4dt03026e)
Development of novel indicators and molecular systems for calcium sensing through protein engineering.
A Climent-Catala, MI Sanchez
– Curr Opin Chem Biol
(2024)
84,
102547
(doi: 10.1016/j.cbpa.2024.102547)
Estimation of ligand binding free energy using multi-eGO.
B Stegani, E Scalone, F Bacic Toplek, T Lohr, S Gianni, M Vendruscolo, R Capelli, C Camilloni
(2024)
(doi: 10.26434/chemrxiv-2024-jcmgc-v2)
Semiartificial Photosynthetic Nanoreactors for H2 Generation.
H Zhang, J Jaenecke, IL Bishara-Robertson, C Casadevall, HJ Redman, M Winkler, G Berggren, N Plumeré, JN Butt, E Reisner, LJC Jeuken
– Journal of the American Chemical Society
(2024)
146,
34260
(doi: 10.1021/jacs.4c12311)
Fragment-based development of small molecule inhibitors targeting Mycobacterium tuberculosis cholesterol metabolism.
ME Kavanagh, KJ McLean, SH Gilbert, C Amadi, M Snee, RB Tunnicliffe, K Arora, HI Boshoff, A Fanourakis, MJ Rebello-Lopez, F Ortega-Muro, CW Levy, AW Munro, D Leys, C Abell, AG Coyne
(2024)
(doi: 10.1101/2024.10.28.620643)
High Pressure Conformational Sampling
F Zeller, P Pracht, T Neudecker
(2024)
(doi: 10.26434/chemrxiv-2024-xx932)
Synthesis of high-performance photocatalysts for solar-driven hydrogen production and carbon dioxide reduction
CW Lee, JH Kim, MS Bootharaju, T Hyeon, B-H Lee
– Carbon Future
(2024)
1,
9200025
(doi: 10.26599/cf.2024.9200025)
Reform or transform? A spectrum of stances towards the economic status quo within ‘new economics’ discourses
SJ Buckton, JO Kenter, N Mukherjee, S Waddock, A Anger-Kraavi, S Martino, I Fazey, AP Hejnowicz, J Kabubo-Mariara, JO Lafayette, K Locy, C Scarr
– Global Social Challenges Journal
(2024)
3,
382
(doi: 10.1332/27523349y2024d000000025)

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