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  • Currently displaying 1081 - 1100 of 29855 publications
Author(s)
Publication title
Journal Name
Publication year
Step Forward Cross Validation for Bioactivity Prediction: Out of Distribution Validation in Drug Discovery.
US Saha, M Vendruscolo, AE Carpenter, S Singh, A Bender, S Seal
(2024)
Negative Cooperativity in the Formation of H-Bond Networks involving Primary Anilines
FE Hanna, AJ Root, M Schade, CA Hunter
Chemical Science
(2024)
15
Accelerating Formulation Design via Machine Learning: Generating a High-throughput Shampoo Formulations Dataset.
A Chitre, RCM Querimit, SD Rihm, D Karan, B Zhu, K Wang, L Wang, K Hippalgaonkar, AA Lapkin
Scientific Data
(2024)
11
Ammonium halide selective ion pair recognition and extraction with a chalcogen bonding heteroditopic receptor
A Docker, YC Tse, HM Tay, Z Zhang, PD Beer
Dalton Transactions
(2024)
53
Progressive polymer deformation induced by polar activity and the influence of inertia
AR Tejedor, J Ramírez, M Ripoll
Physical Review Research
(2024)
6
Novel Magnetic Resonance Techniques as Applied to Metallic Phases in Lithium-Ion Battery Electrodes
T Insinna
(2024)
Oscillatory Active State of a Pd Nanocatalyst Identified by In Situ Capture of the Instantaneous Structure-Activity Change at the Atomic Scale.
M Tang, S Li, B Zhu, R You, L Yu, Y Ou, W Yuan, Q Xu, H Yang, DJ Wales, Z Zhang, Y Gao, Y Wang
Journal of the American Chemical Society
(2024)
146
Path Integral Simulations of Condensed-Phase Vibrational Spectroscopy
SC Althorpe
Annual review of physical chemistry
(2024)
75
The Atom Surface Site Interaction Point Approach to Non-Covalent Interactions
K Zator
(2024)
Carbonylative transformations with Pd catalysts supported on bio-degradable urea-based polymer – Part A
M Markovič, P Lopatka, P Koóš, T Soták, A Ház, T Gracza, SV Ley, M Králik
Catalysis Today
(2024)
441
Singlet Fission in Pechmann Dyes: Planar Chromophore Design and Understanding.
AV Girija, W Zeng, WK Myers, RC Kilbride, DTW Toolan, C Zhong, F Plasser, A Rao, H Bronstein
J Am Chem Soc
(2024)
146
Automated high-throughput selection of DNA aptamers using a common optical next-generation sequencer
A Drees, C Ahlers, T Kehrer, N Ehmke, AFR Grün, C Uetrecht, Z Ignatova, U Schumacher, M Fischer
(2024)
Design of a Lead-Like Cysteine-Targeting Covalent Library and the Identification of Hits to Cys55 of Bfl-1
SCC Lucas, AG Milbradt, JH Blackwell, S Bonomo, A Brierley, DJ Cassar, J Freeman, TE Hadfield, LA Morrill, R Riemens, S Sarda, S Schiesser, D Wiktelius, S Ahmed, MJ Bostock, U Börjesson, C De Fusco, C Guerot, D Hargreaves, S Hewitt, ML Lamb, N Su, R Whatling, M Wheeler, JG Kettle
Journal of Medicinal Chemistry
(2024)
67
Binary Adsorption of Carbon Dioxide and Water Vapor on Amine-Impregnated Silica
Y Wang, C Chen, GK Li
Industrial & Engineering Chemistry Research
(2024)
63
α-Synuclein Oligomers Displace Monomeric α-Synuclein from Lipid Membranes.
G Šneiderienė, MA Czekalska, CK Xu, AK Jayaram, G Krainer, WE Arter, QAE Peter, M Castellana-Cruz, KL Saar, A Levin, T Mueller, S Fiedler, SRA Devenish, H Fiegler, JR Kumita, TPJ Knowles
ACS nano
(2024)
18
Advances in volumetric super-resolution microscopy and single-particle tracking
S Daly
(2024)
The αC-β4 loop controls the allosteric cooperativity between nucleotide and substrate in the catalytic subunit of protein kinase A
C Olivieri, Y Wang, C Walker, MV Subrahmanian, KN Ha, D Bernlohr, J Gao, C Camilloni, M Vendruscolo, SS Taylor, G Veglia
eLife
(2024)
12
The αC-β4 loop controls the allosteric cooperativity between nucleotide and substrate in the catalytic subunit of protein kinase A.
C Olivieri, Y Wang, C Walker, MV Subrahmanian, KN Ha, D Bernlohr, J Gao, C Camilloni, M Vendruscolo, SS Taylor, G Veglia
eLife
(2024)
12
Bin2cell reconstructs cells from high resolution Visium HD data
K Polański, R Bartolomé-Casado, I Sarropoulos, C Xu, N England, FL Jahnsen, SA Teichmann, N Yayon
(2024)
Stability and Redox Mechanisms of Ni-Rich NMC Cathodes: Insights from First-Principles Many-Body Calculations
H Banerjee, CP Grey, AJ Morris
Chemistry of Materials
(2024)
36