Concepedia

Jenke Scheen

JS

Statistics

Publications

6

Citations

281

H-Index

6

Active since

2019

Affiliations

University of Edinburgh(Current)

Memorial Sloan Kettering Cancer Center

Cresset (United Kingdom)

Cornell University

Tri-Institutional PhD Program in Chemical Biology

Jenke Scheen is an author at University of Edinburgh specializing in chemistry, natural sciences, and physical chemistry.

Top concepts

ChemistryBiophysicsEngineeringMolecular DesignNatural SciencesPhysical ChemistryComputational ChemistryEnergyMolecular DynamicsComputational Biochemistry

Publications per year

2019–2024

6

Publications

6

Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors

Melissa L. Boby, D. Fearon, Matteo P. Ferla et al. · Science · 2023 · 158 citations · Full text

Hybrid Alchemical Free Energy/Machine-Learning Methodology for the Computation of Hydration Free Energies

Jenke Scheen, Wilson Wu, Antonia S. J. S. Mey et al. · Journal of Chemical Information and Modeling · 2020 · 52 citations · Full text

Engineering, Machine Learning Tool, Computational Chemistry +19

Best Practices for Alchemical Free Energy Calculations [Article v1.0]

Antonia S. J. S. Mey, Bryce K. Allen, Hannah E. Bruce Macdonald et al. · Living Journal of Computational Molecular Science · 2019 · 26 citations · Full text

Free Energy Differences, Engineering, Energy Conversion +17

EspalomaCharge: Machine Learning-Enabled Ultrafast Partial Charge Assignment

Yuanqing Wang, Iván Pulido, Kenichiro Takaba et al. · The Journal of Physical Chemistry A · 2024 · 22 citations · Full text

Engineering, Machine Learning, Atomic Partial Charges +16

A Suite of Tutorials for the BioSimSpace Framework for Interoperable Biomolecular Simulation [Article v1.0]

Lester O. Hedges, Sofia Bariami, Matthew Burman et al. · Living Journal of Computational Molecular Science · 2023 · 13 citations · Full text

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