Daixi Li

516 Jungong Rd
Shanghai, 200093, China

Last Updated: 09/26/2026

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Found 40 publications

Accelerating SuFEx Reactions via Aryl Fluorosulfate Structural Engineering for Enhanced Covalent Targeted Cancer Therapy.

Accelerating SuFEx Reactions via Aryl Fluorosulfate Structural Engineering for Enhanced Covalent Targeted Cancer Therapy.

Journal: Angewandte Chemie (International ed. in English)

Published: February 11, 2026

PRGNet: a Parallel Residual Graph Network for enhanced drug-target binding affinity prediction.

PRGNet: a Parallel Residual Graph Network for enhanced drug-target binding affinity prediction.

Journal: BMC genomics

Published: January 12, 2026

Sampling Challenges of MM/PBSA Binding Energy Calculations.

Sampling Challenges of MM/PBSA Binding Energy Calculations.

Journal: The journal of physical chemistry. B

Published: October 29, 2025

A Unified Peptide Generative Framework via a Weakly Order-Dependent Autoregressive Language Model and Lifelong Learning.

A Unified Peptide Generative Framework via a Weakly Order-Dependent Autoregressive Language Model and Lifelong Learning.

Journal: Journal of chemical information and modeling

Published: August 01, 2025

Programmable divergent electrochemical ring-opening multifunctionalization of strained rings.

Programmable divergent electrochemical ring-opening multifunctionalization of strained rings.

Journal: Nature chemistry

Published: June 17, 2025

Divergent Upcycling of Polystyrene into Phenol and Hydroquinone Derivatives by Photocatalysis and Electrocatalysis.

Divergent Upcycling of Polystyrene into Phenol and Hydroquinone Derivatives by Photocatalysis and Electrocatalysis.

Journal: Angewandte Chemie (International ed. in English)

Published: April 12, 2025

Electro-oxidative amination of benzylic C(sp³)-C(sp³) bonds in aromatic hydrocarbons.

Electro-oxidative amination of benzylic C(sp³)-C(sp³) bonds in aromatic hydrocarbons.

Journal: Nature communications

Published: January 15, 2025

Screening and design of PARP12 inhibitors from traditional Chinese medicine small molecules using computational modeling and simulation.

Screening and design of PARP12 inhibitors from traditional Chinese medicine small molecules using computational modeling and simulation.

Journal: Journal of biomolecular structure & dynamics

Published: November 11, 2024

Paired electrocatalysis enabled oxidative coupling of styrenes with alkyl radicals.

Paired electrocatalysis enabled oxidative coupling of styrenes with alkyl radicals.

Journal: Organic & biomolecular chemistry

Published: November 07, 2024

Supervised Screening of EGFR Inhibitors Validated through Computational Structural Biology Approaches.

Supervised Screening of EGFR Inhibitors Validated through Computational Structural Biology Approaches.

Journal: ACS medicinal chemistry letters

Published: September 27, 2024

Intelligent identification of foodborne pathogenic bacteria by self-transfer deep learning and ensemble prediction based on single-cell Raman spectrum.

Intelligent identification of foodborne pathogenic bacteria by self-transfer deep learning and ensemble prediction based on single-cell Raman spectrum.

Journal: Talanta

Published: September 26, 2024

Unveiling the Therapeutic Potential of Paclitaxel Combinations Against Breast Carcinoma and Identification of In Vivo Biomarkers.

Unveiling the Therapeutic Potential of Paclitaxel Combinations Against Breast Carcinoma and Identification of In Vivo Biomarkers.

Journal: Chemical biology & drug design

Published: May 01, 2024

Showing 1-12 of 40

Last Updated: 09/26/2026