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Yusuf Hamied Department of Chemistry

 

Publications

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  • Currently displaying 1761 - 1780 of 29335 publications
Minimum in the pressure dependence of the interfacial free energy between ice Ih and water
P Montero de Hijes, J R Espinosa, C Vega, C Dellago
– Journal of Chemical Physics
(2023)
158,
124503
(doi: 10.1063/5.0140814)
Photosynthesis re-wired on the pico-second timescale.
TK Baikie, LT Wey, JM Lawrence, H Medipally, E Reisner, MM Nowaczyk, RH Friend, CJ Howe, C Schnedermann, A Rao, JZ Zhang
– Nature
(2023)
615,
836
(doi: 10.1038/s41586-023-05763-9)
Selective Aurora A-TPX2 interaction inhibitors havein vivoefficacy as targeted anti-mitotic agents
S Stockwell, D Scott, G Fischer, E Guarino, T Rooney, T-S Feng, T Moschetti, R Srinivasan, E Alza, A Asteian, C Dagostin, A Alcaide, M Rocaboy, B Blaszczyk, A Higueruelo, X Wang, M Rossmann, T Perrior, T Blundell, D Spring, G McKenzie, C Abell, J Skidmore, A Venkitaraman, M Hyvönen
(2023)
(doi: 10.1101/2023.03.22.533679)
Is Unified Understanding of Vibrational Coupling of Water Possible? Hyper-Raman Measurement and Machine Learning Spectra
K Inoue, Y Litman, DM Wilkins, Y Nagata, M Okuno
– The Journal of Physical Chemistry Letters
(2023)
14,
3063
(doi: 10.1021/acs.jpclett.3c00398)
Using Transcriptomics and Cell Morphology Data in Drug Discovery: The Long Road to Practice.
L-L Pruteanu, A Bender
– ACS Med Chem Lett
(2023)
14,
386
(doi: 10.1021/acsmedchemlett.3c00015)
Atom-Precise Heteroatom Core-Tailoring of Nanoclusters for Enhanced Solar Hydrogen Generation.
MS Bootharaju, CW Lee, G Deng, H Kim, K Lee, S Lee, H Chang, S Lee, Y-E Sung, JS Yoo, N Zheng, T Hyeon
– Advanced Materials
(2023)
35,
e2207765
(doi: 10.1002/adma.202207765)
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence.
J Goodman, RJ Lewis, J Lam
– Journal of cheminformatics
(2023)
15,
36
(doi: 10.1186/s13321-023-00706-y)
α-synuclein oligomers displace monomeric α-synuclein from lipid membranes
G Šneiderienė, M Czekalska, C Xu, A Jayaram, G Krainer, W Arter, Q Peter, M Castellana-Cruz, K Saar, A Levin, T Mueller, S Fiedler, S Devenish, H Fiegler, J Kumita, T Knowles
(2023)
(doi: 10.1101/2023.03.21.533646)
Covalent Organic Frameworks as Porous Pigments for Photocatalytic Metal-Free C-H Borylation.
A Basak, S Karak, R Banerjee
– Journal of the American Chemical Society
(2023)
145,
7592
(doi: 10.1021/jacs.3c00950)
Exploration and Exploitation Approaches Based on Generative Machine Learning to Identify Potent Small Molecule Inhibitors of α‑Synuclein Secondary Nucleation
RI Horne, MH Murtada, D Huo, ZF Brotzakis, RC Gregory, A Possenti, S Chia, M Vendruscolo
– Journal of chemical theory and computation
(2023)
19,
4701
(doi: 10.1021/acs.jctc.2c01303)
AlphaFold Prediction of Structural Ensembles of Disordered Proteins
F Brotzakis, S Zhang, M Vendruscolo
(2023)
(doi: 10.21203/rs.3.rs-2659892/v1)
The Influence of Protein Charge and Molecular Weight on the Affinity of Aptamers.
A Drees, TL Trinh, M Fischer
– Pharmaceuticals
(2023)
16,
457
(doi: 10.3390/ph16030457)
Tracking the Photomineralization Mechanism in Irradiated Lab-Generated and Field-Collected Brown Carbon Samples and Its Effect on Cloud Condensation Nuclei Abilities.
S Müller, C Giorio, N Borduas-Dedekind
– ACS Environ Au
(2023)
3,
164
(doi: 10.1021/acsenvironau.2c00055)
Multidimensional Protein Solubility Optimization with an Ultrahigh-Throughput Microfluidic Platform.
NA Erkamp, M Oeller, T Sneideris, H Ausserwoger, A Levin, TJ Welsh, R Qi, D Qian, N Lorenzen, H Zhu, P Sormanni, M Vendruscolo, TPJ Knowles
– Analytical chemistry
(2023)
95,
5362
(doi: 10.1021/acs.analchem.2c05495)
Kinetic Analysis Reveals the Role of Secondary Nucleation in Regenerated Silk Fibroin Self-Assembly.
A Kamada, Z Toprakcioglu, TPJ Knowles
– Biomacromolecules
(2023)
24,
1709
(doi: 10.1021/acs.biomac.2c01479)
Comparison of Matsubara dynamics with exact quantum dynamics for an oscillator coupled to a dissipative bath.
A Prada, ES Pós, SC Althorpe
– Journal of Chemical Physics
(2023)
158,
114106
(doi: 10.1063/5.0138250)
Scalable Palladium-Catalyzed C(sp3)–H Carbonylation of Alkylamines in Batch and Continuous Flow
J Zakrzewski, P Yaseneva, CJ Taylor, MJ Gaunt, AA Lapkin
– Organic Process Research and Development
(2023)
27,
649
(doi: 10.1021/acs.oprd.2c00378)
Pantothenate biosynthesis in Toxoplasma gondii tachyzoites is not a drug target
VM Howieson, J Zeng, J Kloehn, C Spry, C Marchetti, M Lunghi, E Varesio, A Soper, AG Coyne, C Abell, GG van Dooren, KJ Saliba
– International journal for parasitology. Drugs and drug resistance
(2023)
22,
1
(doi: 10.1016/j.ijpddr.2023.03.003)
Direct Calculation of the Interfacial Free Energy between NaCl Crystal and Its Aqueous Solution at the Solubility Limit.
I Sanchez-Burgos, JR Espinosa
– Physical Review Letters
(2023)
130,
118001
(doi: 10.1103/physrevlett.130.118001)
Quantitative In Silico Prediction of the Rate of Protodeboronation by a Mechanistic Density Functional Theory-Aided Algorithm
DS Wigh, M Tissot, P Pasau, JM Goodman, AA Lapkin
– J Phys Chem A
(2023)
127,
2628
(doi: 10.1021/acs.jpca.2c08250)

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