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Currently displaying 2841 - 2860 of 29475 publications

A review of molecular representation in the age of machine learning

DS Wigh, JM Goodman, AA Lapkin

– WIREs Computational Molecular Science

(2022)

12,

(doi: 10.1002/wcms.1603)

RBBP6 activates the pre-mRNA 3′ end processing machinery in humans

V Boreikaite, TS Elliott, JW Chin, LA Passmore

– Genes & development

(2022)

36,

210

(doi: 10.1101/gad.349223.121)

Dissipative Tunneling Rates through the Incorporation of First-Principles Electronic Friction in Instanton Rate Theory I: Theory

Y Litman, ES Pós, CL Box, R Martinazzo, RJ Maurer, M Rossi

(2022)

(link to publication)

A Systematic Review Protocol of Opportunities for Noncommunicable Disease Prevention via Public Space Initiatives in African Cities.

ERI Mogo, T Lawanson, L Foley, C Mapa-Tassou, F Assah, T Ogunro, V Onifade, D Odekunle, R Unuigboje, N Blanche, R Alani, L Chatzidiakou, O Popoola, R Jones, T Oni

– International journal of environmental research and public health

(2022)

19,

2285

(doi: 10.3390/ijerph19042285)

Dissipative Tunneling Rates through the Incorporation of First-Principles Electronic Friction in Instanton Rate Theory II: Benchmarks and Applications

Y Litman, ES Pós, CL Box, R Martinazzo, RJ Maurer, M Rossi

(2022)

(link to publication)

Probing Protein Solubility Patterns with Proteomics for Insight into Network Dynamics.

X Sui, M Radwan, D Cox, DM Hatters

– Methods Mol Biol

(2022)

2428,

261

(doi: 10.1007/978-1-0716-1975-9_16)

Comparison of Imine- and Phosphinimine-Supported Indium Complexes: Tuning the Reactivity for the Sequential and Simultaneous Copolymerization of Lactide and ε‑Caprolactone

C Diaz, J Fu, S Soobrattee, L Cao, K Nyamayaro, C Goonesinghe, BO Patrick, P Mehrkhodavandi

– Inorganic chemistry

(2022)

61,

3763

(doi: 10.1021/acs.inorgchem.2c00043)

Mechanism-based traps enable protease and hydrolase substrate discovery

S Tang, AT Beattie, L Kafkova, G Petris, N Huguenin-Dezot, M Fiedler, M Freeman, JW Chin

– Nature

(2022)

602,

701

(doi: 10.1038/s41586-022-04414-9)

Spectroscopic and in vitro Investigations of Fe2+/α‐Ketoglutarate‐Dependent Enzymes Involved in Nucleic Acid Repair and Modification

D Schmidl, NSW Lindlar Né Jonasson, A Menke, S Schneider, LJ Daumann

– Chembiochem

(2022)

23,

e202100605

(doi: 10.1002/cbic.202100605)

An ultralow-acceptor-content supramolecular light-harvesting system for white-light emission

K Diao, DJ Whitaker, Z Huang, H Qian, D Ren, L Zhang, Z-Y Li, X-Q Sun, T Xiao, L Wang

– Chemical Communications

(2022)

58,

2343

(doi: 10.1039/d1cc06647a)

The Pathological G51D Mutation in Alpha-Synuclein Oligomers Confers Distinct Structural Attributes and Cellular Toxicity

CK Xu, M Castellana-Cruz, SW Chen, Z Du, G Meisl, A Levin, B Mannini, LS Itzhaki, TPJ Knowles, CM Dobson, N Cremades, JR Kumita

– Molecules

(2022)

27,

1293

(doi: 10.3390/molecules27041293)

The Pathological G51D Mutation in Alpha-Synuclein Oligomers Confers Distinct Structural Attributes and Cellular Toxicity

C Xu, M Castellana-Cruz, S Chen, Z Du, G Meisl, A Levin, B Mannini, L Itzhaki, T Knowles, C Dobson, N Cremades, J Kumita

– Molecules

(2022)

27,

1293

(doi: 10.3390/molecules27041293)

Quantifying Exciton Transport in Singlet Fission Diblock Copolymers.

G He, LM Yablon, KR Parenti, KJ Fallon, LM Campos, MY Sfeir

– J Am Chem Soc

(2022)

144,

3269

(doi: 10.1021/jacs.1c13456)

DILIC: An AI based classifier to search for Drug-Induced Liver Injury literature

S Rathee, M MacMahon, A Liu, N Katritsis, G Youssef, W Hwang, L Wollman, N Han

(2022)

2022.02.12.480184

(doi: 10.1101/2022.02.12.480184)

Temperature protocols to guide selective self-assembly of competing structures

A Bupathy, D Frenkel, S Sastry

– Proceedings of the National Academy of Sciences of the United States of America

(2022)

119,

e2119315119

(doi: 10.1073/pnas.2119315119)

Ultrahigh-throughput directed evolution of a metal-free α/β-hydrolase with a Cys-His-Asp triad into an efficient phosphotriesterase

D Schnettler Fernández, OJ Klein, T Kaminski, P-Y Colin, F Hollfelder

(2022)

2022.02.14.480337

(doi: 10.1101/2022.02.14.480337)

Nitrogen-Containing Perylene Diimides: Molecular Design, Robust Aggregated Structures, and Advances in n-Type Organic Semiconductors

S Kumagai, H Ishii, G Watanabe, CP Yu, S Watanabe, J Takeya, T Okamoto

– Accounts of Chemical Research

(2022)

55,

660

(doi: 10.1021/acs.accounts.1c00548)

Sustainable Production of Reduced Phosphorus Compounds: Mechanochemical Hydride Phosphorylation Using Condensed Phosphates as a Route to Phosphite

F Zhai, T Xin, MB Geeson, CC Cummins

– ACS Cent Sci

(2022)

332

(doi: 10.1021/acscentsci.1c01381)

Retaining the structural integrity of disulfide bonds in diphtheria toxoid carrier protein is crucial for effectiveness of glycoconjugate vaccine candidates

G Lopes Bernardes, F carboni, A kitowski, C Sorieul, D Veggi, M Marques, D Oldrini, E Balducci, B Brogioni, L Del Bino, A Corrado, F Angiolini, L Dello Iacono, I Margarit, M Romano, R Adamo

– Chemical Science

(2022)

(doi: 10.1039/D1SC01928G)