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Theoretical and Computational Chemistry

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Farzin Sohraby

3 results in Authors: Farzin Sohraby

Theoretical and Computational Chemistry

PathInHydro, a set of machine learning models to identify unbinding pathways of gas molecules in [NiFe] hydrogenases

Farzin Sohraby, Jing-Yao Guo, Ariane Nunes-Alves

Version 2 posted 16 December 2024

245

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Theoretical and Computational Chemistry

Symmetric Ligand Binding Pathways and Dual-State Bottleneck in [NiFe] Hydrogenases from Unbiased Molecular Dynamics

Farzin Sohraby, Ariane Nunes-Alves

Version 1 posted 02 June 2025

8

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Theoretical and Computational Chemistry

Characterization of the bottlenecks and pathways for inhibitor dissociation from [NiFe] hydrogenase

Farzin Sohraby, Ariane Nunes Alves

Version 2 posted 24 April 2024

325

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