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  • Currently displaying 4901 - 4920 of 30289 publications
Author(s)
Publication title
Journal Name
Publication year
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
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 Chem Biol
(2021)
28
K-means landscapes: exploring clustering solution spaces using energy landscape theory
L Dicks
(2021)
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)
Hydrogen Atom Transfer-Driven Enantioselective Minisci Reaction of Amides
RSJ Proctor, P Chuentragool, AC Colgan, RJ Phipps
J Am Chem Soc
(2021)
143
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
Phys Rev Lett
(2021)
126
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
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 Naive 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 ed. in English)
(2021)
60
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
J Chem Theory Comput
(2021)
17
Excited state character of Cibalackrot-type compounds interpreted in terms of Hückel-aromaticity: a rationale for singlet fission chromophore design
W Zeng, O El Bakouri, DW Szczepanik, H Bronstein, H Ottosson
Chemical Science
(2021)
12
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
Calculation of absolute molecular entropies and heat capacities made simple
P Pracht, S Grimme
Chemical Science
(2021)
12
Routes to cubic ice through heterogeneous nucleation.
MB Davies, M Fitzner, A Michaelides
Proceedings of the National Academy of Sciences
(2021)
118
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
Computation of the chemical potential and solubility of amorphous solids
HA Vinutha, D Frenkel
Journal of Chemical Physics
(2021)
154
The role of clearance mechanisms in the kinetics of pathological protein aggregation involved in neurodegenerative diseases.
TB Thompson, G Meisl, TPJ Knowles, A Goriely
The Journal of Chemical Physics
(2021)
154
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)
CSPα reduces aggregates and rescues striatal dopamine release in α-synuclein transgenic mice.
L Caló, E Hidari, M Wegrzynowicz, JW Dalley, BL Schneider, M Podgajna, O Anichtchik, E Carlson, D Klenerman, MG Spillantini
Brain: a journal of neurology
(2021)
144