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Biological and Medicinal Chemistry

(1)

Theoretical and Computational Chemistry

(3)

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Working Paper

(3)

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Over 3 years

(3)

Keywords

Rational drug design

Authors

3 results in Keywords: Rational drug design

Biological and Medicinal Chemistry

Role of Guanidinium-Carboxylate Interaction in Enzyme Inhibition with Implication for Drug Design

Aswathy Muttathukattil, Sriraksha Srinivasan, Antarip Halder, Govardhan Reddy

Version 1 posted 02 July 2019

891

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Theoretical and Computational Chemistry

Relative Binding Free Energy Predictions for Inhibitors of Tetrameric Influenza Virus Neuraminidase

Billy J Williams-Noonan, Elizabeth Yuriev, David K Chalmers

Version 1 posted 14 September 2021

350

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Theoretical and Computational Chemistry

Deep Scaffold Hopping with Multi-modal Transformer Neural Networks

Shuangjia Zheng, Zengrong Lei, Haitao Ai, Hongming Chen, Daiguo Deng, Yuedong Yang

Version 1 posted 28 September 2020

1,454

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4

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