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4 results in Keywords: Molecular dynamics

Organic Chemistry

Inviting Trifluoromethylated Pseudoprolines into Collagen Model Peptides

Anaïs Terrien, Keyvan Rahgoshay, Emelyne Renaglia, Nathalie Lensen, Yves Jacquot, Rodrigue Marquant, Thierry Brigaud, Claire Loison, Grégory Chaume, Emeric Miclet

Version 1 posted 01 September 2022

194

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Biological and Medicinal Chemistry

Conformational Selection of a Tryptophan Side Chain Drives the Generalized Increase in Activity of PET Hydrolases Through a Ser/Ile Double Mutation

Alessandro Crnjar, Aransa Griñen, Shina Caroline Lynn Kamerlin, César Ramírez-Sarmiento

Version 1 posted 10 October 2022

478

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Chemical Engineering and Industrial Chemistry

Graph-Based Modeling and Molecular Dynamics for Ion Activity Coefficient Prediction in Polymeric Ion-Exchange Membranes

Pegah Naghshnejad, Gabriela Theis Marchan, Teslim Olayiwola, Jose Romagnoli, Revati Kumar

Version 2 posted 08 August 2024

239

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Unveiling the molecular basis of selective fluorination: computation-guided identification, characterization, and engineering of SAM-dependent fluorinases

Ravi Kumar Verma, Wan Lin Yeo, Elaine Tiong, Ee Lui Ang, Yee Hwee Lim, Fong Tian Wong, Hao Fan

Version 1 posted 28 August 2024

131

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