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Theoretical and Computational Chemistry

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conformations

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5 results in Keywords: conformations

Organic Chemistry

New Insights into the Reactivity of 2-Halo-Glycals. Synthesis of Novel Iodinated Oand S-Glycosides

Agustín Rojas, Leticia Lafuente, Virginia Vetere, Agustin Ponzinibbio

Version 1 posted 01 July 2020

357

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Theoretical and Computational Chemistry

Conformations and Three-Dimensional Structures of Selected SARS-CoV-2 Drug Candidates

Karl Kirschner, Javed Razzaq, Rudolf Berrendorf, Wolfgang Heiden

Version 4 posted 04 June 2020

1,641

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Physical Chemistry

Transferable Neural Network Potential Energy Surfaces for Closed-Shell Organic Molecules: Extension to Ions

Leif Jacobson, James Stevenson, Farhad Ramezanghorbani, Delaram Ghoreishi, Karl Leswing, Ed Harder, Robert Abel

Version 3 posted 21 February 2022

1,838

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Biological and Medicinal Chemistry

Linker-dependent folding rationalizes PROTAC cell permeability

Vasanthanathan Poongavanam, Yoseph Atilaw, Stephan Siegel, Anja Giese, Lutz Lehmann, Daniel Meibom, Mate Erdelyi, Jan Kihlberg

Version 1 posted 04 May 2022

4,209

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Biological and Medicinal Chemistry

Unlocking the hydrolytic mechanism of GH92 α-1,2-mannosidases: computation inspires using C-glycosides as Michaelis complex mimics

Santiago Alonso-Gil, Kamil Parkan, Jakub Kaminský, Radek Pohl, Takatsugu Miyazaki

Version 1 posted 09 November 2021

214

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1

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