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  • Currently displaying 2201 - 2220 of 29865 publications
Author(s)
Publication title
Journal Name
Publication year
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
Selective Aurora A-TPX2 interaction inhibitors have in vivo efficacy as targeted anti-mitotic agents
SR Stockwell, DE Scott, G Fischer, E Guarino, TPC 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, TR Perrior, TL Blundell, DR Spring, G McKenzie, C Abell, J Skidmore, AR Venkitaraman, M Hyvönen
(2023)
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
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
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
Adv Mater
(2023)
35
Covalent Organic Frameworks as Porous Pigments for Photocatalytic Metal-Free C-H Borylation
A Basak, S Karak, R Banerjee
J Am Chem Soc
(2023)
145
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence.
J Goodman, RJ Lewis, J Lam
Journal of Cheminformatics
(2023)
15
α-synuclein oligomers displace monomeric α-synuclein from lipid membranes
G ŠneiderienÄ—, MA Czekalska, CK Xu, A Jayaram, G Krainer, WE Arter, Q Peter, M Castellana-Cruz, KL Saar, A Levin, T Mueller, S Fiedler, SRA Devenish, H Fiegler, JR Kumita, TPJ Knowles
(2023)
AlphaFold Prediction of Structural Ensembles of Disordered Proteins
ZF Brotzakis, S Zhang, M Vendruscolo
(2023)
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
The Influence of Protein Charge and Molecular Weight on the Affinity of Aptamers.
A Drees, TL Trinh, M Fischer
Pharmaceuticals (Basel, Switzerland)
(2023)
16
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 Environmental Au
(2023)
3
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
Kinetic Analysis Reveals the Role of Secondary Nucleation in Regenerated Silk Fibroin Self-Assembly.
A Kamada, Z Toprakcioglu, TPJ Knowles
Biomacromolecules
(2023)
24
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
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
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 & Development
(2023)
27
Comparison of Matsubara dynamics with exact quantum dynamics for an oscillator coupled to a dissipative bath.
A Prada, ES Pós, SC Althorpe
The Journal of chemical physics
(2023)
158
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
Mechanism of action deconvolution of the small-molecule pathological tau aggregation inhibitor Anle138b
L Hosseini-Gerami, E Ficulle, N Humphryes-Kirilov, DC Airey, J Scherschel, S Kananathan, BJ Eastwood, S Bose, DA Collier, E Laing, D Evans, H Broughton, A Bender
Alzheimer's Research & Therapy
(2023)
15