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Yusuf Hamied Department of Chemistry

 

Publications

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  • Currently displaying 321 - 340 of 29425 publications
Effect of Exact Exchange on the Energy Landscape in Self-Consistent Field Theory
Y Pillai, HGA Burton, DJ Wales
– J Chem Theory Comput
(2025)
21,
1203
(doi: 10.1021/acs.jctc.4c01404)
Understanding the Mechanism of Electrochemical CO2 Capture by Supercapacitive Swing Adsorption
G Mapstone, TM Kamsma, Z Xu, PK Jones, AA Lee, I Temprano, J Lee, MFL De Volder, AC Forse
– ACS Nano
(2025)
19,
4242
(doi: 10.1021/acsnano.4c10931)
Knotting a tetrahedral cage mechanically locks guests inside
Y Yang, TK Ronson, PCP Teeuwen, S Zucchelli, AW Heard, P Posocco, DJ Wales, JR Nitschke
(2025)
(doi: 10.26434/chemrxiv-2025-njv4t)
Virtual Integration of Satellite and In-situ Observation Networks (VISION) v1.0: In-Situ Observations Simulator (ISO_simulator)
MR Russo, SL Bartholomew, D Hassell, AM Mason, E Neininger, AJ Perman, DAJ Sproson, D Watson-Parris, NL Abraham
– Geoscientific Model Development
(2025)
18,
181
(doi: 10.5194/gmd-18-181-2025)
Compositional and functional diversity of minimal primitive coacervates in a nucleic acid-peptide world
KK Nakashima, FZ Mihoubi, J Saraya, K Russell, F Rahmatova, J Robinson, MJ Maristany, J Huertas, R Rubio-Sánchez, R Collepardo-Guevara, D O'Flaherty, C Bonfio
(2025)
(doi: 10.26434/chemrxiv-2024-l40ch-v2)
Structural Elucidation of Na2/3NiO2, A Dynamically Stabilised Cathode Phase with Ni Charge- and Na Vacancy- Ordering
JMA Steele, AR Genreith-Schriever, JD Bocarsly, LAV Nagle-Cocco, FN Sayed, M Juramy, CA O'Keefe, F Orlandi, P Manuel, SE Dutton, CP Grey
(2025)
(doi: 10.26434/chemrxiv-2025-3k58h)
Transient interactions between the fuzzy coat and the cross-β core of brain-derived Aβ42 filaments.
M Milanesi, ZF Brotzakis, M Vendruscolo
– Science Advances
(2025)
11,
eadr7008
(doi: 10.1126/sciadv.adr7008)
Deletion of themoeA gene inFlavobacteriumIR1 drives structural color shift from green to blue and alters polysaccharide metabolism
ÁE Doncel, C Patinios, A Campos, MB Walter Costa, MV Turkina, M Murace, RHJ Staals, S Vignolini, BE Dutilh, CJ Ingham
(2025)
(doi: 10.1101/2025.01.13.632688)
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
H Kaur, F Della Pia, I Batatia, XR Advincula, BX Shi, J Lan, G Csányi, A Michaelides, V Kapil
– Faraday discussions
(2025)
256,
120
(doi: 10.1039/d4fd00107a)
Benchmarking residue-resolution protein coarse-grained models for simulations of biomolecular condensates
A Feito, I Sanchez-Burgos, I Tejero, E Sanz, A Rey, R Collepardo-Guevara, AR Tejedor, JR Espinosa
– Plos Computational Biology
(2025)
21,
e1012737
(doi: 10.1371/journal.pcbi.1012737)
Modular perovskite-BiVO4 artificial leaves towards syngas synthesis on a m2 scale
V Andrei, Y-H Chiang, M Rahaman, M Anaya, T Kang, E Ruggeri, SD Stranks, E Reisner
– Energy and Environmental Sciences
(2025)
2025,
3623
(doi: 10.1039/d4ee05780e)
Transforming an ATP-dependent enzyme into a dissipative, self-assembling system.
Y Li, J Zhu, Z Zhang, J Wei, F Wang, G Meisl, TPJ Knowles, EH Egelman, FA Tezcan
– Nature chemical biology
(2025)
21,
883
(doi: 10.1038/s41589-024-01811-1)
Covalent Template-Directed Synthesis: A Powerful Tool for the Construction of Complex Molecules
P Bolgar, M Dhiman, D Núñez-Villanueva, CA Hunter
– Chem Rev
(2025)
125,
1629
(doi: 10.1021/acs.chemrev.4c00505)
Thermodynamics of a compressible lattice gas crystal: Generalized Gibbs-Duhem equation and adsorption
M Sprik
(2025)
(link to publication)
Prediction of protein biophysical traits from limited data: a case study on nanobody thermostability through NanoMelt.
A Ramon, M Ni, O Predeina, R Gaffey, P Kunz, S Onuoha, P Sormanni
– mAbs
(2025)
17,
2442750
(doi: 10.1080/19420862.2024.2442750)
Big data and simulations in NMR crystallography: general discussion.
SE Ashbrook, GJO Beran, J Blahut, F Blanc, C Bornes, L Brammer, SP Brown, T Charpentier, M Dračínský, MK Dudek, L Emsley, CH Fleischer, AL Goodwin, AF Harper, KDM Harris, P Hodgkinson, MA Hope, CE Hughes, SS Köcher, Z Li, AJ Morris, LJ Mueller, SO Nilsson Lill, SL Price, BJ Rhodes, D Torodii
– Faraday Discussions
(2025)
255,
159
(doi: 10.1039/d4fd90054e)
A pseudo-cubic metal–organic cage with conformationally switchable faces for dynamically adaptive guest encapsulation
H Xu, TK Ronson, AW Heard, PCP Teeuwen, L Schneider, P Pracht, JD Thoburn, DJ Wales, JR Nitschke
– Nature chemistry
(2025)
17,
1
(doi: 10.1038/s41557-024-01708-5)
Generating models that describe complex disorder: General discussion
SE Ashbrook, F Blanc, SP Brown, T Charpentier, M Dracinsky, MK Dudek, L Emsley, C Gervais, AL Goodwin, GR Goward, J Griffin, AF Harper, KDM Harris, P Hodgkinson, JB Holmes, MA Hope, CE Hughes, SS Köcher, Z Li, SO Nilsson Lill, C Merlet, AJ Morris, LJ Mueller, SL Price, BJ Rhodes, HS Seleghini
– Faraday Discussions
(2025)
255,
391
(doi: 10.1039/d4fd90056a)
Detecting the Undetectable: Advances in Methods for Identifying Small Tau Aggregates in Neurodegenerative Diseases.
D Böken, Y Wu, Z Zhang, D Klenerman
– Chembiochem : a European journal of chemical biology
(2025)
26,
e202400877
(doi: 10.1002/cbic.202400877)
Decoding Phase Separation of Prion-Like Domains through Data-Driven Scaling Laws
MJ Maristany, A Aguirre Gonzalez, JR Espinosa, J Huertas, R Collepardo-Guevara, JA Joseph
(2025)
(doi: 10.7554/elife.99068.2)

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