Lista de obras -

Amino Acid-Directed Strategy for Inducing the Marine-Derived Fungus Scedosporium apiospermum F41-1 to Maximize Alkaloid Diversity.

artículo científico publicado en 2017

Biomass-involved synthesis of N-substituted benzofuro[2,3-d]pyrimidine-4-amines and biological evaluation as novel EGFR tyrosine kinase inhibitors

artículo científico publicado en 2017

DeepChemStable: Chemical Stability Prediction with an Attention-Based Graph Convolution Network

artículo científico publicado en 2019

Design, syntheses and lipid accumulation inhibitory activities of novel resveratrol mimics.

artículo científico publicado en 2017

Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease

artículo científico publicado en 2018

Discovering new PI3Kα inhibitors with a strategy of combining ligand-based and structure-based virtual screening.

artículo científico publicado en 2018

Discovery of a New Pterocarpan-Type Antineuroinflammatory Compound from Sophora tonkinensis through Suppression of the TLR4/NFκB/MAPK Signaling Pathway with PU.1 as a Potential Target

artículo científico publicado en 2018

Discovery of aromadendrane anologues from the marine-derived fungus Scedosporium dehoogii F41-4 by NMR-guided isolation

artículo científico publicado en 2016

Discovery of indoleamine 2,3-dioxygenase inhibitors using machine learning based virtual screening

scientific article published on 01 March 2018

Fluvirosaones A and B, Two Indolizidine Alkaloids with a Pentacyclic Skeleton from Flueggea virosa.

artículo científico publicado en 2018

Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes

scientific article published on 04 July 2018

Identifying Novel Anti-Osteoporosis Leads with a Chemotype-Assembly Approach

artículo científico publicado en 2019

Identifying Structure-Property Relationships through SMILES Syntax Analysis with Self-Attention Mechanism

artículo científico publicado en 2019

Jatrophane Diterpenoids from Euphorbia esula as Inhibitors of RANKL-Induced Osteoclastogenesis

scientific article published on 01 April 2020

Monomeric and Dimeric Cytotoxic Guaianolide-Type Sesquiterpenoids from the Aerial Parts of Chrysanthemum indicum

artículo científico publicado en 2019

OSBP-Related Protein 5L Maintains Intracellular IP3/Ca2+ Signaling and Proliferation in T Cells by Facilitating PIP2 Hydrolysis

artículo científico publicado en 2020

Potential Antidiabetic Fumiquinazoline Alkaloids from the Marine-Derived Fungus Scedosporium apiospermum F41-1

artículo científico publicado en 2020

Predicting DPP-IV inhibitors with machine learning approaches.

artículo científico publicado en 2017

Predicting Retrosynthetic Reactions Using Self-Corrected Transformer Neural Networks

scientific article published on 24 December 2019

Predicting the Feasibility of Copper(I)-Catalyzed Alkyne-Azide Cycloaddition Reactions Using a Recurrent Neural Network with a Self-Attention Mechanism

scientific article published on 17 February 2020

Pterosin Sesquiterpenoids from Pteris cretica as Hypolipidemic Agents via Activating Liver X Receptors.

artículo científico publicado en 2016

QBMG: quasi-biogenic molecule generator with deep recurrent neural network

scientific article published on 17 January 2019

Semisynthesis of (-)-Rutamarin Derivatives and Their Inhibitory Activity on Epstein-Barr Virus Lytic Replication.

artículo científico publicado en 2017

Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis

artículo científico publicado en 2019

Structurally Selective Mechanism of Liver X Receptor Ligand: In Silico and In Vitro Studies

artículo científico publicado en 2019

Systematic Studies on the Protocol and Criteria for Selecting a Covalent Docking Tool

scientific article published on 10 June 2019

TCMAnalyzer: a Chemo- and Bioinformatics Web Service for Analyzing Traditional Chinese Medicine

artículo científico publicado en 2018

Vitepyrroloids A-D, 2-Cyanopyrrole-Containing Labdane Diterpenoid Alkaloids from the Leaves of Vitex trifolia.

artículo científico publicado en 2017

X-shaped structure of bacterial heterotetrameric tRNA synthetase suggests cryptic prokaryote functions and a rationale for synthetase classifications

artículo científico publicado en 2021

Lista de obras de

Amino Acid-Directed Strategy for Inducing the Marine-Derived Fungus Scedosporium apiospermum F41-1 to Maximize Alkaloid Diversity.

Biomass-involved synthesis of N-substituted benzofuro[2,3-d]pyrimidine-4-amines and biological evaluation as novel EGFR tyrosine kinase inhibitors

DeepChemStable: Chemical Stability Prediction with an Attention-Based Graph Convolution Network

Design, syntheses and lipid accumulation inhibitory activities of novel resveratrol mimics.

Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease

Discovering new PI3Kα inhibitors with a strategy of combining ligand-based and structure-based virtual screening.

Discovery of a New Pterocarpan-Type Antineuroinflammatory Compound from Sophora tonkinensis through Suppression of the TLR4/NFκB/MAPK Signaling Pathway with PU.1 as a Potential Target

Discovery of aromadendrane anologues from the marine-derived fungus Scedosporium dehoogii F41-4 by NMR-guided isolation

Discovery of indoleamine 2,3-dioxygenase inhibitors using machine learning based virtual screening

Fluvirosaones A and B, Two Indolizidine Alkaloids with a Pentacyclic Skeleton from Flueggea virosa.

Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes

Identifying Novel Anti-Osteoporosis Leads with a Chemotype-Assembly Approach

Identifying Structure-Property Relationships through SMILES Syntax Analysis with Self-Attention Mechanism

Jatrophane Diterpenoids from Euphorbia esula as Inhibitors of RANKL-Induced Osteoclastogenesis

Monomeric and Dimeric Cytotoxic Guaianolide-Type Sesquiterpenoids from the Aerial Parts of Chrysanthemum indicum

OSBP-Related Protein 5L Maintains Intracellular IP3/Ca2+ Signaling and Proliferation in T Cells by Facilitating PIP2 Hydrolysis

Potential Antidiabetic Fumiquinazoline Alkaloids from the Marine-Derived Fungus Scedosporium apiospermum F41-1

Predicting DPP-IV inhibitors with machine learning approaches.

Predicting Retrosynthetic Reactions Using Self-Corrected Transformer Neural Networks

Predicting the Feasibility of Copper(I)-Catalyzed Alkyne-Azide Cycloaddition Reactions Using a Recurrent Neural Network with a Self-Attention Mechanism

Pterosin Sesquiterpenoids from Pteris cretica as Hypolipidemic Agents via Activating Liver X Receptors.

QBMG: quasi-biogenic molecule generator with deep recurrent neural network

Semisynthesis of (-)-Rutamarin Derivatives and Their Inhibitory Activity on Epstein-Barr Virus Lytic Replication.

Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis

Structurally Selective Mechanism of Liver X Receptor Ligand: In Silico and In Vitro Studies

Systematic Studies on the Protocol and Criteria for Selecting a Covalent Docking Tool

TCMAnalyzer: a Chemo- and Bioinformatics Web Service for Analyzing Traditional Chinese Medicine

Vitepyrroloids A-D, 2-Cyanopyrrole-Containing Labdane Diterpenoid Alkaloids from the Leaves of Vitex trifolia.

X-shaped structure of bacterial heterotetrameric tRNA synthetase suggests cryptic prokaryote functions and a rationale for synthetase classifications