Fu Chen

Crippling life support for SARS-CoV-2 and other viruses through synthetic lethality

The role of artificial intelligence in healthcare: a structured literature review

Frequent hitters: nuisance artifacts in high-throughput screening

Mesenchymal stem cell-based drug delivery strategy: from cells to biomimetic

COVID-19: A promising cure for the global panic

A structure-based computational workflow to predict liability and binding modes of small molecules to hERG

Recent Developments and Applications of the MMPBSA Method

Comparison Study of Computational Prediction Tools for Drug-Target Binding Affinities

Refinement and Rescoring of Virtual Screening Results

Human Mesenchymal Stem Cells as a Carrier for a Cell-Mediated Drug Delivery

In silico methods for design of biological therapeutics

Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery

Artificial intelligence in drug discovery and development

Deep Learning-Based Prediction of Drug-Induced Cardiotoxicity

Predicting Relative Protein Affinity of Novel Per- and Polyfluoroalkyl Substances (PFASs) by An Efficient Molecular Dynamics Approach

Scopy: an integrated negative design python library for desirable HTS/VS database design

Fast Identification of Possible Drug Treatment of Coronavirus Disease-19 (COVID-19) through Computational Drug Repurposing Study

Water electrolysis: from textbook knowledge to the latest scientific strategies and industrial developments

Assessing the performance of docking scoring function, FEP, MM-GBSA, and QM/MM-GBSA approaches on a series of PLK1 inhibitors

Per- and Polyfluoroalkyl Substance Toxicity and Human Health Review: Current State of Knowledge and Strategies for Informing Future Research

Molecular Docking: Shifting Paradigms in Drug Discovery

Search for Catalysts by Inverse Design: Artificial Intelligence, Mountain Climbers, and Alchemists

ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties

PubChem in 2021: new data content and improved web interfaces

Structural Analysis and Identification of Colloidal Aggregators in Drug Discovery

Improving the Efficiency of Ligand-Binding Protein Design with Molecular Dynamics Simulations

Assessing the performance of MM/PBSA and MM/GBSA methods. 8. Predicting binding free energies and poses of protein–RNA complexes

Peptide-Tethered Hydrogel Scaffold Promotes Recovery from Spinal Cord Transection via Synergism with Mesenchymal Stem Cells

Assessing the performance of MM/PBSA and MM/GBSA methods. 7. Entropy effects on the performance of end-point binding free energy calculation approaches

Assessing the performance of the MM/PBSA and MM/GBSA methods. 10. Impacts of enhanced sampling and variable dielectric model on protein–protein Interactions

Prediction of luciferase inhibitors by the high-performance MIEC-GBDT approach based on interaction energetic patterns

Assessing the performance of MM/PBSA and MM/GBSA methods. 9. Prediction reliability of binding affinities and binding poses for protein–peptide complexes

Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein–protein binding free energies and re-rank binding poses generated by protein–protein docking

ADMET Evaluation in Drug Discovery. Part 17: Development of Quantitative and Qualitative Prediction Models for Chemical-Induced Respiratory Toxicity