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Yusuf Hamied Department of Chemistry

 

Publications

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  • Currently displaying 1981 - 2000 of 29457 publications
Furan-based inhibitors of pyruvate dehydrogenase: SAR study, biochemical evaluation and computational analysis
F Leeper, AHY Chan, TCS Ho, DR Parle
– Org Biomol Chem
(2023)
21,
1755
(doi: 10.1039/d2ob02272a)
A Deep Potential model for liquid-vapor equilibrium and cavitation rates of water
I Sanchez-Burgos, MC Muniz, JR Espinosa, AZ Panagiotopoulos
(2023)
(link to publication)
Excited states, symmetry breaking, and unphysical solutions in state-specific CASSCF theory
A Marie, HGA Burton
(2023)
(doi: 10.48550/arxiv.2301.11731)
(link to publication)
Hallucinating functional protein sequences.
D Belanger, LJ Colwell
– Nature Biotechnology
(2023)
41,
1073
(doi: 10.1038/s41587-022-01634-2)
Strategies for Conditional Regulation of Proteins.
K Nadendla, GG Simpson, J Becher, T Journeaux, M Cabeza-Cabrerizo, GJL Bernardes
– JACS Au
(2023)
3,
344
(doi: 10.1021/jacsau.2c00654)
Convergence of Møller-Plesset perturbation theory for excited reference states
D-G Oprea, HGA Burton
(2023)
(doi: 10.48550/arxiv.2301.10539)
(link to publication)
Accurate Energy Barriers for Catalytic Reaction Pathways: An Automatic Training Protocol for Machine Learning Force Fields
L Schaaf, E Fako, S De, A Schäfer, G Csányi
(2023)
(doi: 10.48550/arxiv.2301.09931)
(link to publication)
Molecular Dynamics with Chemical AccuracyAlkane Adsorption in Acidic Zeolites
F Berger, M Rybicki, J Sauer
– ACS Catalysis
(2023)
13,
2011
(doi: 10.1021/acscatal.2c05493)
Disintegrate (DIN) Theory Enabling Precision Engineering of Proteins
P Chauhan, R V, M Kumar, R Molla, U V B, V Rai
– ACS central science
(2023)
9,
137
(doi: 10.1021/acscentsci.2c01455)
Chem-map profiles drug binding to chromatin in cells.
Z Yu, J Spiegel, L Melidis, WWI Hui, X Zhang, A Radzevičius, S Balasubramanian
– Nature biotechnology
(2023)
41,
1265
(doi: 10.1038/s41587-022-01636-0)
Roadmap on chalcogenide photonics
B Gholipour, SR Elliott, MJ Mueller, M Wuttig, DW Hewak, BE Hayden, Y Li, SS Jo, R Jaramillo, RE Simpson, J Tominaga, Y Cui, A Mandal, BJ Eggleton, M Rochette, M Rezaei, I Alamgir, HM Shamim, R Kormokar, A Anjum, GT Zeweldi, TS Karnik, J Hu, SO Kasap, G Belev, A Reznik
– Journal of Physics: Photonics
(2023)
5,
012501
(doi: 10.1088/2515-7647/ac9a91)
Cooperative Initiation in a Dinuclear Indium Complex for CO2 Epoxide Copolymerization.
H-J Jung, K Nyamayaro, HA Baalbaki, C Goonesinghe, P Mehrkhodavandi
– Inorganic chemistry
(2023)
62,
1968
(doi: 10.1021/acs.inorgchem.2c03192)
Soluble Diphenylhexatriene Dimers for Intramolecular Singlet Fission with High Triplet Energy.
O Millington, S Montanaro, A Leventis, A Sharma, SA Dowland, N Sawhney, KJ Fallon, W Zeng, DG Congrave, AJ Musser, A Rao, H Bronstein
– Journal of the American Chemical Society
(2023)
145,
2499
(doi: 10.1021/jacs.2c12060)
Excess mortality associated with high ozone exposure: A national cohort study in China.
Y Yuan, K Wang, HZ Sun, Y Zhan, Z Yang, K Hu, Y Zhang
– Environmental Science and Ecotechnology
(2023)
15,
100241
(doi: 10.1016/j.ese.2023.100241)
Multifaceted View on the Mechanism of a Photochemical Deracemization Reaction
RJ Kutta, J Großkopf, N van Staalduinen, A Seitz, P Pracht, S Breitenlechner, C Bannwarth, P Nuernberger, T Bach
– J Am Chem Soc
(2023)
145,
2354
(doi: 10.1021/jacs.2c11265)
AlphaFold Prediction of Structural Ensembles of Disordered Proteins
F Brotzakis, S Zhang, M Vendruscolo
(2023)
(doi: 10.1101/2023.01.19.524720)
Bioprinting microporous functional living materials from protein-based core-shell microgels.
Y Ou, S Cao, Y Zhang, H Zhu, C Guo, W Yan, F Xin, W Dong, Y Zhang, M Narita, Z Yu, T Knowles
– Nature communications
(2023)
14,
322
(doi: 10.1038/s41467-022-35140-5)
Spin-constrained Hartree-Fock and the generator coordinate method for the 2-site Hubbard model
SD Baerdemacker, A Ayati, HGA Burton, XD Vriendt, P Bultinck, G Acke
(2023)
(doi: 10.48550/arxiv.2301.07865)
(link to publication)
Hybrid photocathode based on a Ni molecular catalyst and Sb2Se3 for solar H2 production.
DA Garcia-Osorio, TP Shalvey, L Banerji, K Saeed, G Neri, LJ Phillips, OS Hutter, C Casadevall, D Antón-García, E Reisner, JD Major, AJ Cowan
– Chemical Communications
(2023)
59,
944
(doi: 10.17863/CAM.92435)
Multistate Redox-Switchable Ion Transport Using Chalcogen-Bonding Anionophores.
A Docker, TG Johnson, H Kuhn, Z Zhang, MJ Langton
– Journal of the American Chemical Society
(2023)
145,
2661
(doi: 10.1021/jacs.2c12892)

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