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Latest Content

Category: Biological and Medicinal Chemistry
, Title:

Long timescale ensemble methods in molecular dynamics: Ligand-protein interactions and allostery in SARS-CoV-2 targets

, Authors: Agastya P. Bhati, Art Hoti, Andrew Potterton, Mateusz K. Bieniek, Peter V. Coveney
,
165
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Category: Analytical Chemistry
, Title:

In Vivo Metabolic Imaging of [1-13C]Pyruvate-d3 Hyperpolarized By Reversible Exchange With Parahydrogen

, Authors: Henri de Maissin, Philipp Groß, Obaid Mohiuddin, Moritz Weigt, Luca Nagel, Marvin Herzog, Zirun Wang, Robert Willing, Wilfried Reichardt, Martin Pichotka, Lisa Heß, Thomas Reinheckel, Henning Jessen, Robert Zeiser, Michael Bock, Dominik von Elverfeldt, Maxim Zaitsev, Sergey Korchak, Stefan Glöggler, Jan-Bernd Hövener, Eduard Chekmenev, Franz Schilling, Stephan Knecht, Andreas Benjamin Schmidt
,
0
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,
Category: Catalysis
, Title:

Chiral Trifluoromethylated Enamides: Synthesis and Applicability

, Authors: Alexandru Postole, Pablo Martínez-Pardo, Victor García-Váquez, Belén Martín-Matute
,
5
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,
Category: Materials Science
, Title:

DeepDeg: Forecasting and explaining degradation in novel photovoltaics

, Authors: Felipe Oviedo, David S. Hayden, Thomas Heumeuller, Jonas Wortmann, Jose Dario Perea, Richa Naik, Hansong Xue, Juan Lavista, John Fisher III, Christoph J Brabec, Tonio Buonassisi
,
1
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,
Category: Organic Chemistry
, Title:

Radical Simplification of Complex Molecule Retrosynthesis Enabled by Electrocatalytic Cross-Coupling of α-Substituted Carboxylic Acids

, Authors: Benxiang Zhang, Jiayan He, Yang Gao, Laura Levy, Martins Oderinde, Maximilian Palkowitz, T. G. Murali Dhar, Michael Mandler, Michael Collins, Daniel Schmitt, Philippe Bolduc, TeYu Chen, Sebastian Clementson, Nadia Petersen, Gabriele Laudadio, Yu Kawamata, Phil Baran
,
14
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,
Category: Theoretical and Computational Chemistry
, Title:

Deep-Learning Potentials for Proton Transport in Double-Sided Graphanol

, Authors: Siddarth Achar, Leonardo Bernasconi, Juan Alvarez, J. Karl Johnson
,
0
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,
Category: Polymer Science
, Title:

Injectable and photocurable macromonomers synthesized using a heterometallic magnesium-titanium metal-organic catalyst for elastomeric polymer networks

, Authors: Malwina Niedzwiedz, Wojciech Ignaczak, Peter Sobolewski, Agata Goszczyńska, Gokhan Demirci, Miroslawa El Fray
,
55
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,
Category: Theoretical and Computational Chemistry
, Title:

Epik: pKa and Protonation State Prediction through Machine Learning

, Authors: Ryne C. Johnston, Kun Yao, Zachary Kaplan, Monica Chelliah, Karl Leswing, Sean Seekins, Shawn Watts, David Calkins, Jackson Chief Elk, Steven V. Jerome, Matthew P. Repasky, John C. Shelley
,
672
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,
Category: Theoretical and Computational Chemistry
, Title:

Evaluation of autophagy inhibition to combat cancer: (vanadium complex)–protein interactions, parameterization, and validation of a new force field

, Authors: Taináh Santos, Camila Tavares, Ander Pereira, Elaine Cunha, Teodorico Ramalho
,
1
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,
Category: Catalysis
, Title:

Ruthenium-catalysed C‒H amidation for the late-stage synthesis of PROTACs

, Authors: Daniele Antermite, Stig D. Friis, Johan R. Johansson, Okky D. Putra, Lutz Ackermann, Magnus J. Johansson
,
30
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,
Category: Materials Chemistry
, Title:

Carbazolophane Enhances the Efficiency of Thermally Activated Delayed Fluorescence in Carbene Coinage Metal Amides

, Authors: Indranil Sen, Ondřej Mrózek, Mousree Mitra, Andrey Belyaev, Changfeng Si, Eli Zysman-Colman, Jasmin Seibert, Stefan Bräse, Andreas Steffen
,
4
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,
Category: Materials Chemistry
, Title:

Piezochromism in Dynamic Three-Dimensional Covalent Organic Frameworks

, Authors: Jing Fang, Zhiyuan Fu, Xiaohong Chen, Yaozu Liu, Fengqian Chen, Yujie Wang, Hui Li, Yusran Yusran, Kai Wang, Valentin Valtchev, Shilun Qiu, Bo Zou, Qianrong Fang
,
8
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