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Biological and Medicinal Chemistry

Precise, orthogonal remote-control of cell-free systems using photocaged nucleic acids

Giacomo Mazzotti, Denis Hartmann, Michael Booth

Theoretical and Computational Chemistry

Virtual Screening and binding mode analysis of selected FDA approved drugs against PLpro target: An effort to identify therapeutics to combat COVID-19

Mitra Ashouri, Rohoullah Firouzi

Theoretical and Computational Chemistry

Molecular Descriptor and Criterion for Efficient N-Doping of Organic Semiconductors

Chunlin Xu, Dong Wang

Inorganic Chemistry

Altering the Spectroscopy, Electronic Structure, and Bonding of Organometallic Curium(III) Upon Coordination of 4,4-bipyridine

Brian Long, Maria Beltran-Leiva, Joseph Sperling, Todd Poe, Cristian Celis-Barros, Thomas Albrecht-Schoenzart

Optimal sizes of iron oxide nanoflowers for magnetic hyperthermia depend on the alternating magnetic field conditions

Megi Bejko, Yasmina Al Yaman, Anthony Keyes, Auriane Bagur, Patrick Rosa, Marion Gayot, François Weill, Stéphane Mornet, Olivier Sandre

Theoretical and Computational Chemistry

Deconstructing Allostery: Computational Assessment of the Binding Determinants of Allosteric PTP1B Modulators

Adele Hardie, Benjamin P Cossins, Silvia Lovera, Julien Michel

Materials Chemistry

Synthesis and characterization of J and H aggregate-forming carbazole-based diketopyrrolopyrrole materials

Aritrajit Gupta, Ashish Sarkalya, Ramesh Ganduri, Jayashree Nagesh, Satish Patil

Materials Science

Intermolecular pi-pi-packing-induced thermally activated delayed fluorescence: a novel pathway toward luminescence efficiency of nearly 100%

Kai Wang, Xiao-Chun Fan, Dandan Zhang, Youichi Tsuchiya, Le Mei, Yi-Zhong Shi, Masaki Tanaka, Zesen Lin, Yi-Ting Lee, Yue Xie, Yuanyuan Pan, Xiang Zhang, Wei Liu, Gao-Le Dai, Jia-Xiong Chen, Bing Wu, Jun Zhong, Jian-Yu Yuan, Cai-Jun Zheng, Jia Yu, Alex K. Y. Jen, Xian-Kai Chen, Chun-Sing Lee, Chihaya Adachi, Xiaohong Zhang

Surfactant-free colloidal syntheses of gold-based nanomaterials in alkaline water and mono-alcohol mixtures

Jonathan Quinson, Olivia Aalling-Frederiksen, Waynah L. Dacayan, Joachim D. Bjerregaard, Kim D. Jensen, Mads R. V. Jørgensen, Innokenty Kantor, Daniel R. Sørensen, Luise Theil Kuhn, Matthew S. Johnson, María Escudero-Escribano, Søren B. Simonsen, Kirsten M. Ø. Jensen

Theoretical and Computational Chemistry

HOAX: A Hyperparameter Optimization Algorithm Explorer for Neural Networks

Albert Thie, Maximillian F.S.J. Menger, Shirin Faraji

Theoretical and Computational Chemistry

Ab Initio Molecular Cavity Quantum Electrodynamics Simulations Using Machine Learning Models

Deping Hu, Pengfei Huo

Physical Chemistry

A Simple Topology-based Model for Predicting Activation Barriers of Chemical Reactions at 0 K

Leandro Henríquez

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