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2. Computational chemical biology and drug design: Facilitating protein structure, function, and modulation studies. Issue 3 (11th January 2018)

3. Drug target inference by mining transcriptional data using a novel graph convolutional network framework. Issue 4 (22nd October 2021)

4. DrugSpaceX: a large screenable and synthetically tractable database extending drug space. Issue Volume 49:Issue D1(2021) (26th October 2020)

5. Investigation of the remote acyl group participation in glycosylation from conformational perspectives by using trichloroacetimidate as the acetyl surrogate. Issue 13 (27th May 2020)

6. Optimizing chemical reaction conditions using deep learning: a case study for the Suzuki–Miyaura cross-coupling reaction. Issue 16 (21st July 2020)