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Michael o'connor

4 results in Authors: Michael o'connor

Theoretical and Computational Chemistry

Replica Exchange with Solute Tempering for Protein Conformational Sampling

Yichong Lao, Michael O’Connor, Xuhui Huang

Version 1 posted 09 August 2024

357

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Organic Chemistry

Photoinduced Nitroarenes as Versatile Anaerobic Oxidants for Accessing Carbonyl and Imine Derivatives

Joshua Mitchell, Waseem Hussain, Ajay Bansode, Ryan O'Connor, Dan Wise, Michael Choe, Marvin Parasram

Version 1 posted 27 June 2023

707

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Theoretical and Computational Chemistry

GraphVAMPnets for Uncovering Slow Collective Variables of Self-Assembly Dynamics

Bojun Liu, Mingyi Xue, Yunrui Qiu, Kirill Konovalov, Michael O’Connor, Xuhui Huang

Version 1 posted 18 May 2023

710

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1

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Theoretical and Computational Chemistry

Combining Virtual Reality Visualization with Ensemble Molecular Dynamics to Study Complex Protein Conformational Changes

Jordi Juárez-Jiménez, Philip Tew, Michael o'connor, Salome Llabres, Rebecca Sage, David Glowacki, Julien Michel

Version 3 posted 07 October 2020

1,134

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