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Yusuf Hamied Department of Chemistry

 

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  • Currently displaying 1241 - 1260 of 29385 publications
Predicting multiple conformations via sequence clustering and AlphaFold2.
HK Wayment-Steele, A Ojoawo, R Otten, JM Apitz, W Pitsawong, M Hömberger, S Ovchinnikov, L Colwell, D Kern
– Nature
(2023)
625,
832
(doi: 10.1038/s41586-023-06832-9)
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
ML Boby, D Fearon, M Ferla, M Filep, L Koekemoer, MC Robinson, COVID Moonshot Consortium‡, JD Chodera, AA Lee, N London, A von Delft, F von Delft, H Achdout, A Aimon, DS Alonzi, R Arbon, JC Aschenbrenner, BH Balcomb, E Bar-David, H Barr, A Ben-Shmuel, J Bennett, VA Bilenko, B Borden, P Boulet, GR Bowman, L Brewitz, J Brun, S Bvnbs, M Calmiano, A Carbery, DW Carney, E Cattermole, E Chang, E Chernyshenko, A Clyde, JE Coffland, G Cohen, JC Cole, A Contini, L Cox, TI Croll, M Cvitkovic, S De Jonghe, A Dias, K Donckers, DL Dotson, A Douangamath, S Duberstein, T Dudgeon, LE Dunnett, P Eastman, N Erez, CJ Eyermann, M Fairhead, G Fate, O Fedorov, RS Fernandes, L Ferrins, R Foster, H Foster, L Fraisse, R Gabizon, A García-Sastre, VO Gawriljuk, P Gehrtz, C Gileadi, C Giroud, WG Glass, RC Glen, I Glinert, AS Godoy, M Gorichko, T Gorrie-Stone, EJ Griffen, A Haneef, S Hassell Hart, J Heer, M Henry, M Hill, S Horrell, QYJ Huang, VD Huliak, MFD Hurley, T Israely, A Jajack, J Jansen, E Jnoff, D Jochmans, T John, B Kaminow, L Kang, AL Kantsadi, PW Kenny, JL Kiappes, SO Kinakh, B Kovar, T Krojer, VNT La, S Laghnimi-Hahn, BA Lefker, H Levy, RM Lithgo, IG Logvinenko, P Lukacik, HB Macdonald, EM MacLean, LL Makower, TR Malla, PG Marples, T Matviiuk, W McCorkindale, BL McGovern, S Melamed, KP Melnykov, O Michurin, P Miesen, H Mikolajek, BF Milne, D Minh, A Morris, GM Morris, MJ Morwitzer, D Moustakas, CE Mowbray, AM Nakamura, JB Neto, J Neyts, L Nguyen, GD Noske, V Oleinikovas, G Oliva, GJ Overheul, CD Owen, R Pai, J Pan, N Paran, AM Payne, B Perry, M Pingle, J Pinjari, B Politi, A Powell, V Pšenák, I Pulido, R Puni, VL Rangel, RN Reddi, P Rees, SP Reid, L Reid, E Resnick, EG Ripka, RP Robinson, J Rodriguez-Guerra, R Rosales, DA Rufa, K Saar, KS Saikatendu, E Salah, D Schaller, J Scheen, CA Schiffer, CJ Schofield, M Shafeev, A Shaikh, AM Shaqra, J Shi, K Shurrush, S Singh, A Sittner, P Sjö, R Skyner, A Smalley, B Smeets, MD Smilova, LJ Solmesky, J Spencer, C Strain-Damerell, V Swamy, H Tamir, JC Taylor, RE Tennant, W Thompson, A Thompson, S Tomásio, CWE Tomlinson, IS Tsurupa, A Tumber, I Vakonakis, RP van Rij, L Vangeel, FS Varghese, M Vaschetto, EB Vitner, V Voelz, A Volkamer, MA Walsh, W Ward, C Weatherall, S Weiss, KM White, CF Wild, KD Witt, M Wittmann, N Wright, Y Yahalom-Ronen, NK Yilmaz, D Zaidmann, I Zhang, H Zidane, N Zitzmann, SN Zvornicanin
– Science (New York, N.Y.)
(2023)
382,
eabo7201
(doi: 10.1126/science.abo7201)
Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments.
BX Shi, A Zen, V Kapil, PR Nagy, A Grüneis, A Michaelides
– J Am Chem Soc
(2023)
145,
25372
(doi: 10.1021/jacs.3c09616)
Landscapes of Finite Information
J McKittrick
(2023)
(doi: 10.17863/CAM.111540)
Automated multistep synthesis of 2-pyrazolines in continuous flow
SV Ley, R Labes, JC Pastre, RJ Ingham, C Battilocchio, HM Marçon, MCFCB Damião, DN Tran
– Reaction Chemistry and Engineering
(2023)
9,
558
(doi: 10.1039/d3re00515a)
Synthetic yeast chromosome XI design provides a testbed for the study of extrachromosomal circular DNA dynamics
BA Blount, X Lu, MRM Driessen, D Jovicevic, MI Sanchez, K Ciurkot, Y Zhao, S Lauer, RM McKiernan, G-OF Gowers, F Sweeney, V Fanfani, E Lobzaev, K Palacios-Flores, RSK Walker, A Hesketh, J Cai, SG Oliver, Y Cai, G Stracquadanio, LA Mitchell, JS Bader, JD Boeke, T Ellis
– Cell Genom
(2023)
3,
100418
(doi: 10.1016/j.xgen.2023.100418)
Driving electrochemical organic hydrogenations on metal catalysts by tailoring hydrogen surface coverages
T Li, A Ciotti, M Rahaman, CWS Yeung, M García-Melchor, E Reisner
(2023)
(doi: 10.26434/chemrxiv-2023-146f9)
NUMAC: Description of the Nested Unified Model With Aerosols and Chemistry, and Evaluation With KORUS-AQ Data
H Gordon, KS Carslaw, AA Hill, PR Field, NL Abraham, A Beyersdorf, C Corr-Limoges, P Ghosh, J Hemmings, AC Jones, C Sanchez, X Wang, J Wilkinson
– Journal of Advances in Modeling Earth Systems
(2023)
15,
e2022MS003457
(doi: 10.1029/2022ms003457)
Targeting nucleic acid phase transitions as a mechanism of action for antimicrobial peptides
T Sneideris
– Nature Communications
(2023)
(doi: 10.1038/s41467-023-42374-4)
Targeting nucleic acid phase transitions as a mechanism of action for antimicrobial peptides.
T Sneideris, NA Erkamp, H Ausserwöger, KL Saar, TJ Welsh, D Qian, K Katsuya-Gaviria, MLLY Johncock, G Krainer, A Borodavka, TPJ Knowles
– Nature communications
(2023)
14,
7170
(doi: 10.1038/s41467-023-42374-4)
Synergistic solar-powered water-electricity generation: An integrated floating system on water
M Liu, Y Sun, K Shao, N Li, J Li, P Murto, Z Wang, J Chen, X Xu
– Nano Energy
(2023)
119,
109074
(doi: 10.1016/j.nanoen.2023.109074)
Automated Synthesis of Duplex-Forming Recognition-Encoded Oligomers
M Dhiman
(2023)
(doi: 10.17863/CAM.105718)
Characterisation and Detection of P53 Aggregates
Y Wu
(2023)
(doi: 10.17863/CAM.107250)
Linking modulation of bio-molecular phase behaviour with collective interactions
D Qian, H Ausserwoger, W Arter, R Scrutton, T Welsh, T Kartanas, N Ermann, S Qamar, C Fischer, T Sneideris, PS George-Hyslop, R Pappu, T Knowles
(2023)
(doi: 10.1101/2023.11.02.565376)
A Chinese longitudinal maternity cohort study (2013–2021) on intrahepatic cholestasis phenotypes: Risk associations from environmental exposure to adverse pregnancy outcomes
HZ Sun, H Tang, J Fang, H Dai, H Zhao, S Xu, Q Xiang, Y Tian, Y Jiao, T Luo, M Huang, J Shu, L Zang, H Liu, Y Guo, W Xu, X Bai, Zhejiang Environmental and Birth Health Research Alliance (ZEBRA) collaborative group
– Journal of Hazardous Materials
(2023)
463,
132915
(doi: 10.1016/j.jhazmat.2023.132915)
Corrected density functional theory and the random phase approximation: Improved accuracy at little extra cost
D Graf, AJW Thom
– Journal of Chemical Physics
(2023)
159,
174106
(doi: 10.1063/5.0168569)
Synthesis and intramolecular singlet fission properties of ortho-phenylene linked oligomers of diphenylhexatriene
O Millington, A Sharma, S Montanaro, A Leventis, SA Dowland, DG Congrave, C-A Lee, A Rao, H Bronstein
– Chemical science
(2023)
14,
13090
(doi: 10.1039/d3sc03665k)
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters
BX Shi, DJ Wales, A Michaelides, CW Myung
(2023)
(link to publication)
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water
N O'Neill, BX Shi, K Fong, A Michaelides, C Schran
(2023)
(link to publication)
Mesoscale Simulations Reveal How Salt Influences Clay Particles Agglomeration in Aqueous Dispersions
TTB Le, AR Finney, A Zen, T Bui, WJ Tay, K Chellappah, M Salvalaglio, A Michaelides, A Striolo
– Journal of Chemical Theory and Computation
(2023)
20,
1612
(doi: 10.1021/acs.jctc.3c00719)

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