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Yusuf Hamied Department of Chemistry

 

Publications

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  • Currently displaying 3821 - 3840 of 29490 publications
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,
2323
(doi: 10.1021/acs.jctc.0c01286)
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
– Adv Mater
(2021)
33,
2100403
(doi: 10.1002/adma.202100403)
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,
11014
(doi: 10.1002/ange.202015834)
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,
10919
(doi: 10.1002/anie.202015834)
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,
6159
(doi: 10.1039/d1sc00382h)
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 and Molecular Biology
(2021)
28,
365
(doi: 10.1038/s41594-021-00565-x)
Routes to cubic ice through heterogeneous nucleation.
MB Davies, M Fitzner, A Michaelides
– Proceedings of the National Academy of Sciences
(2021)
118,
e2025245118
(doi: 10.1073/PNAS.2025245118)
Calculation of absolute molecular entropies and heat capacities made simple.
P Pracht, S Grimme
– Chemical science
(2021)
12,
6551
(doi: 10.1039/d1sc00621e)
2021 roadmap on lithium sulfur batteries
JB Robinson, K Xi, RV Kumar, AC Ferrari, H Au, MM Titirici, AP Puerto, A Kucernak, SDS Fitch, NG 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, DD Lecce, RE Owen, TS Miller, DJL Brett, S Liatard, D Ainsworth, PR Shearing
– JPhys Energy
(2021)
3,
031501
(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,
124502
(doi: 10.1063/5.0038955)
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)
High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium
C Schran, F Uhl, J Behler, D Marx
(2021)
(link to publication)
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,
1661
(doi: 10.1093/brain/awab076)
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)
(link to publication)
Launching science, society and policy.
A Smith, JKM Sanders
– Royal Society open science
(2021)
8,
210438
(doi: 10.17863/CAM.71010)
From Protein Building Blocks to Functional Materials.
Y Shen, A Levin, A Kamada, Z Toprakcioglu, M Rodriguez-Garcia, Y Xu, TPJ Knowles
– ACS Nano
(2021)
15,
5819
(doi: 10.1021/acsnano.0c08510)
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,
125101
(doi: 10.1063/5.0031650)
Shear-mediated sol-gel transition of regenerated silk allows the formation of Janus-like microgels
Z Toprakcioglu, TPJ Knowles
– Scientific reports
(2021)
11,
6673
(doi: 10.1038/s41598-021-85199-1)
2D constraint modifies packing behaviour: a halobenzene monolayer with X<sub>3</sub> halogen-bonding motif.
JA Davidson, SJ Jenkins, F Gorrec, SM Clarke
– Mol Phys
(2021)
119,
e1900940
(doi: 10.1080/00268976.2021.1900940)
Selective CRAF Inhibition Elicits Transactivation.
CW Morgan, IL Dale, AP Thomas, J Hunt, JW Chin
– Journal of the American Chemical Society
(2021)
143,
4600
(doi: 10.1021/jacs.0c11958)

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