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  • Currently displaying 2321 - 2340 of 29853 publications
Author(s)
Publication title
Journal Name
Publication year
Development, intercomparison and evaluation of an improved mechanism for the oxidation of dimethyl sulfide in the UKCA model
BA Cala, S Archer-Nicholls, J Weber, NL Abraham, PT Griffiths, L Jacob, YM Shin, LE Revell, M Woodhouse, AT Archibald
(2023)
Versatile Biosynthetic Approach to Regioselective Enzyme Patterning for Direct Bioelectrocatalysis Application
H Lee, SS Reginald, IS Chang
Advanced Materials Technologies
(2023)
8
Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT
BB Sarma, J Jelic, D Neukum, DE Doronkin, X Huang, F Studt, J-D Grunwaldt
The Journal of Physical Chemistry C
(2023)
127
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
A Deep Potential model for liquid-vapor equilibrium and cavitation rates of water
I Sanchez-Burgos, MC Muniz, JR Espinosa, AZ Panagiotopoulos
(2023)
Excited states, symmetry breaking, and unphysical solutions in state-specific CASSCF theory
A Marie, HGA Burton
(2023)
Hallucinating functional protein sequences.
D Belanger, LJ Colwell
Nature Biotechnology
(2023)
41
Strategies for Conditional Regulation of Proteins.
K Nadendla, GG Simpson, J Becher, T Journeaux, M Cabeza-Cabrerizo, GJL Bernardes
JACS Au
(2023)
3
Thiamine analogues as inhibitors of pyruvate dehydrogenase and discovery of a thiamine analogue with non-thiamine related antiplasmodial activity (vol 13, pg 817, 2022)
AHY Chan, I Fathoni, TCS Ho, KJ Saliba, FJ Leeper
RSC Med Chem
(2023)
14
Convergence of Møller-Plesset perturbation theory for excited reference states
D-G Oprea, HGA Burton
(2023)
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)
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
J Am Chem Soc
(2023)
145
Molecular Dynamics with Chemical Accuracy-Alkane Adsorption in Acidic Zeolites
F Berger, M Rybicki, J Sauer
ACS Catalysis
(2023)
13
Chem-map profiles drug binding to chromatin in cells.
Z Yu, J Spiegel, L Melidis, WWI Hui, X Zhang, A Radzevičius, S Balasubramanian
Nat Biotechnol
(2023)
41
Cooperative Initiation in a Dinuclear Indium Complex for CO2 Epoxide Copolymerization
H-J Jung, K Nyamayaro, HA Baalbaki, C Goonesinghe, P Mehrkhodavandi
Inorg Chem
(2023)
62
Roadmap on chalcogenide photonics
B Gholipour, SR Elliott, MJ Müller, 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
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
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
Environ Sci Ecotechnol
(2023)
15
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
AlphaFold Prediction of Structural Ensembles of Disordered Proteins
ZF Brotzakis, S Zhang, M Vendruscolo
(2023)