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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

(1)

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Working Paper

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Over 3 years

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3D-RISM

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2 results in Keywords: 3D-RISM

Biological and Medicinal Chemistry

Virtual Screening and Free Energy Estimation for Identifying Mycobacterium Tuberculosis Flavoenzyme DprE1 Inhibitors

Niranjan Kumar, Rakesh Srivastava, Amresh Prakash, Andrew M Lynn

Version 1 posted 18 August 2020

655

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Theoretical and Computational Chemistry

Multi-Solvent Models for Solvation Free Energy Predictions Using 3D-RISM Hydration Thermodynamic Descriptors

Vigneshwari Subramanian, Ekaterina Ratkova, David Palmer, Ola Engkvist, Maxim Fedorov, Antonio Llinas

Version 1 posted 06 February 2020

433

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1

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