Yusuf Hamied Department of Chemistry

Publications

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  • Currently displaying 5721 - 5740 of 31556 publications
Author(s)
Publication title
Journal Name
Publication year
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
Angew Chem Int Ed Engl
(2021)
60
(doi: 10.1002/anie.202015834)
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
(doi: 10.1021/acs.jctc.0c01286)
Routes to cubic ice through heterogeneous nucleation.
MB Davies, M Fitzner, A Michaelides
Proceedings of the National Academy of Sciences
(2021)
118
(doi: 10.1073/PNAS.2025245118)
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
(doi: 10.1088/2515-7655/abdb9a)
Computation of the chemical potential and solubility of amorphous solids.
HA Vinutha, D Frenkel
J Chem Phys
(2021)
154
(doi: 10.1063/5.0038955)
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
(doi: 10.1039/d1sc00382h)
Calculation of absolute molecular entropies and heat capacities made simple.
P Pracht, S Grimme
Chem Sci
(2021)
12
(doi: 10.1039/d1sc00621e)
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
(doi: 10.1038/s41594-021-00565-x)
High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium
C Schran, F Uhl, J Behler, D Marx
(2021)
(doi: 10.48550/arxiv.2103.13123)
The role of clearance mechanisms in the kinetics of pathological protein aggregation involved in neurodegenerative diseases
TB Thompson, G Meisl, TPJ Knowles, A Goriely
J Chem Phys
(2021)
154
(doi: 10.1063/5.0031650)
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)
(doi: 10.48550/arxiv.2103.13063)
Launching science, society and policy
A Smith, JKM Sanders
Royal Society Open Science
(2021)
8
(doi: 10.17863/CAM.71010)
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)
(doi: 10.26434/chemrxiv.14267876.v1)
CSPα reduces aggregates and rescues striatal dopamine release in αsynuclein 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
(doi: 10.1093/brain/awab076)
Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Cavity-Modified Molecular Dynamics
MAC Saller, A Kelly, E Geva
The Journal of Physical Chemistry Letters
(2021)
12
(doi: 10.1021/acs.jpclett.1c00158)
Shear-mediated sol-gel transition of regenerated silk allows the formation of Janus-like microgels
Z Toprakcioglu, TPJ Knowles
Sci Rep
(2021)
11
(doi: 10.1038/s41598-021-85199-1)
The release of toxic oligomers from α-synuclein fibrils induces dysfunction in neuronal cells
R Cascella, SW Chen, A Bigi, JD Camino, CK Xu, CM Dobson, F Chiti, N Cremades, C Cecchi
Nat Commun
(2021)
12
(doi: 10.1038/s41467-021-21937-3)
Selective CRAF Inhibition Elicits Transactivation.
CW Morgan, IL Dale, AP Thomas, J Hunt, JW Chin
Journal of the American Chemical Society
(2021)
143
(doi: 10.1021/jacs.0c11958)
2D Constraint Modifies Packing Behaviour: A Halobenzene Monolayer with X3 Halogen-Bonding Motif
JA Davidson, SJ Jenkins, F Gorrec, SM Clarke
Mol Phys
(2021)
119
(doi: 10.1080/00268976.2021.1900940)
Simulating Vibronic Spectra without Born-Oppenheimer Surfaces.
K Lively, G Albareda, SA Sato, A Kelly, A Rubio
The Journal of Physical Chemistry Letters
(2021)
12
(doi: 10.1021/acs.jpclett.1c00073)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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