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  • Currently displaying 2241 - 2260 of 29261 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
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
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)
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)
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
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 Environ 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
Anal Chem
(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
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
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
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
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
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
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
Journal of Physical Chemistry A
(2023)
127
A Double-Walled Tetrahedron with AgI 4 Vertices Binds Different Guests in Distinct Sites.
SE Clark, AW Heard, CT McTernan, TK Ronson, B Rossi, P Rozhin, S Marchesan, JR Nitschke
Angew Chem Int Ed Engl
(2023)
62