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  • Currently displaying 4161 - 4180 of 29858 publications
Author(s)
Publication title
Journal Name
Publication year
Carboxylesterase Notum Is a Druggable Target to Modulate Wnt Signaling
ED Bayle, F Svensson, BN Atkinson, D Steadman, NJ Willis, HL Woodward, P Whiting, J-P Vincent, PV Fish
J Med Chem
(2021)
64
The role of reversible and irreversible covalent chemistry in targeted protein degradation
H Kiely-Collins, GE Winter, GJL Bernardes
Cell chemical biology
(2021)
28
Stereochemical Control Yields Mucin Mimetic Polymers
AG Kruger, SD Brucks, T Yan, G Cárcarmo-Oyarce, Y Wei, DH Wen, DR Carvalho, MJA Hore, K Ribbeck, RR Schrock, LL Kiessling
ACS central science
(2021)
7
Microscopic Kinetics Pathway of Salt Crystallization in Graphene Nanocapillaries
L Wang, J Chen, SJ Cox, L Liu, GC Sosso, N Li, P Gao, A Michaelides, E Wang, X Bai
Physical Review Letters
(2021)
126
Hydrogen Atom Transfer-Driven Enantioselective Minisci Reaction of Amides
RSJ Proctor, P Chuentragool, AC Colgan, RJ Phipps
Journal of the American Chemical Society
(2021)
143
Force-induced Catastrophes on Energy Landscapes: Mechanochemical Manipulation of Downhill and Uphill Bifurcations Explains Ring-opening Selectivity of Cyclopropanes
M Wollenhaupt, C Schran, M Krupička, D Marx
(2021)
K-means landscapes: exploring clustering solution spaces using energy landscape theory
L Dicks
(2021)
Controlled Ligand Exchange Between Ruthenium Organometallic Cofactor Precursors and a Naïve Protein Scaffold Generates Artificial Metalloenzymes Catalysing Transfer Hydrogenation
GS Biggs, OJ Klein, SL Maslen, JM Skehel, TJ Rutherford, SMV Freund, F Hollfelder, SR Boss, PD Barker
Angewandte Chemie
(2021)
133
Controlled Ligand Exchange Between Ruthenium Organometallic Cofactor Precursors and a Naïve Protein Scaffold Generates Artificial Metalloenzymes Catalysing Transfer Hydrogenation.
GS Biggs, OJ Klein, SL Maslen, JM Skehel, TJ Rutherford, SMV Freund, F Hollfelder, SR Boss, PD Barker
Angewandte Chemie International Edition
(2021)
60
Electrically Induced Mixed Valence Increases the Conductivity of Copper Helical Metallopolymers.
JL Greenfield, D Di Nuzzo, EW Evans, SP Senanayak, S Schott, JT Deacon, A Peugeot, WK Myers, H Sirringhaus, RH Friend, JR Nitschke
Advanced materials (Deerfield Beach, Fla.)
(2021)
33
Implicit Solvents for the Polarizable Atomic Multipole AMOEBA Force Field.
RA Corrigan, G Qi, AC Thiel, JR Lynn, BD Walker, TL Casavant, L Lagardere, J-P Piquemal, JW Ponder, P Ren, MJ Schnieders
Journal of chemical theory and computation
(2021)
17
Scaling analysis reveals the mechanism and rates of prion replication in vivo
G Meisl, T Kurt, I Condado-Morales, C Bett, S Sorce, M Nuvolone, TCT Michaels, D Heinzer, M Avar, SIA Cohen, S Hornemann, A Aguzzi, CM Dobson, CJ Sigurdson, TPJ Knowles
Nature structural & molecular biology
(2021)
28
2021 roadmap on lithium sulfur batteries
JB Robinson, K Xi, RV Kumar, AC Ferrari, H Au, M-M Titirici, A Parra-Puerto, A Kucernak, SDS Fitch, N Garcia-Araez, ZL Brown, M Pasta, L Furness, AJ Kibler, DA Walsh, LR Johnson, C Holc, GN Newton, NR Champness, F Markoulidis, C Crean, RCT Slade, EI Andritsos, Q Cai, S Babar, T Zhang, C Lekakou, N Kulkarni, AJE Rettie, R Jervis, M Cornish, M Marinescu, G Offer, Z Li, L Bird, CP Grey, M Chhowalla, D Di Lecce, RE Owen, TS Miller, DJL Brett, S Liatard, D Ainsworth, PR Shearing
JPhys Energy
(2021)
3
Excited state character of Cibalackrot-type compounds interpreted in terms of Huckel-aromaticity: a rationale for singlet fission chromophore design
W Zeng, O El Bakouri, DW Szczepanik, H Bronstein, H Ottosson
Chemical science
(2021)
12
Calculation of absolute molecular entropies and heat capacities made simple
P Pracht, S Grimme
Chem Sci
(2021)
12
Computation of the chemical potential and solubility of amorphous solids.
HA Vinutha, D Frenkel
The Journal of Chemical Physics
(2021)
154
Routes to cubic ice through heterogeneous nucleation
MB Davies, M Fitzner, A Michaelides
Proceedings of the National Academy of Sciences
(2021)
118
Converged Colored Noise Path Integral Molecular Dynamics Study of the Zundel Cation down to Ultra-low Temperatures at Coupled Cluster Accuracy
C Schran, F Brieuc, D Marx
(2021)
High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium
C Schran, F Uhl, J Behler, D Marx
(2021)
The Chemistry of Branched Condensed Phosphates
T Dürr, D Qiu, V eisenbeis, N Steck, M Häner, A Hofer, A Mayer, J Siegel, K Baldridge, H Jessen
(2021)