| # | Title | Journal | Year | Citations |
|---|
| 1 | Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power | Physical Chemistry Chemical Physics | 2016 | 669 |
| 2 | Quercetin as a tyrosinase inhibitor: Inhibitory activity, conformational change and mechanism | Food Research International | 2017 | 178 |
| 3 | Two-Dimensional Memristive Hyperchaotic Maps and Application in Secure Communication | IEEE Transactions on Industrial Electronics | 2021 | 139 |
| 4 | COVID-19 Docking Server: a meta server for docking small molecules, peptides and antibodies against potential targets of COVID-19 | Bioinformatics | 2020 | 122 |
| 5 | Initials-Boosted Coexisting Chaos in a 2-D Sine Map and Its Hardware Implementation | IEEE Transactions on Industrial Informatics | 2021 | 108 |
| 6 | Blind prediction of homo‐ and hetero‐protein complexes: The CASP13‐CAPRI experiment | Proteins: Structure, Function and Bioinformatics | 2019 | 99 |
| 7 | Intelligent Reflecting Surface Aided MIMO Cognitive Radio Systems | IEEE Transactions on Vehicular Technology | 2020 | 92 |
| 8 | InteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein–Ligand Interaction Predictions | Journal of Medicinal Chemistry | 2021 | 87 |
| 9 | A Survey of Graph Cuts/Graph Search Based Medical Image Segmentation | IEEE Reviews in Biomedical Engineering | 2018 | 81 |
| 10 | Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment | Proteins: Structure, Function and Bioinformatics | 2021 | 73 |
| 11 | H∞ control for networked discrete-time Markov jump systems with repeated scalar nonlinearities">Event-triggered H∞ control for networked discrete-time Markov jump systems with repeated scalar nonlinearities | Applied Mathematics and Computation | 2017 | 71 |
| 12 | Chaotic Bursting Dynamics and Coexisting Multistable Firing Patterns in 3D Autonomous Morris–Lecar Model and Microcontroller-Based Validations | International Journal of Bifurcation and Chaos in Applied Sciences and Engineering | 2019 | 67 |
| 13 | Memory feedback controller design for stochastic Markov jump distributed delay systems with input saturation and partially known transition rates | Nonlinear Analysis: Hybrid Systems | 2015 | 58 |
| 14 | BitterX: a tool for understanding bitter taste in humans | Scientific Reports | 2016 | 53 |
| 15 | The inflammatory cytokine IL-6 induces FRA1 deacetylation promoting colorectal cancer stem-like properties | Oncogene | 2019 | 48 |
| 16 | Boosting Protein–Ligand Binding Pose Prediction and Virtual Screening Based on Residue–Atom Distance Likelihood Potential and Graph Transformer | Journal of Medicinal Chemistry | 2022 | 44 |
| 17 | Molecular Dynamics Simulations of Wild Type and Mutants of SAPAP in Complexed with Shank3 | International Journal of Molecular Sciences | 2019 | 43 |
| 18 | Molecular dynamics simulation study reveals potential substrate entry path into γ-secretase/presenilin-1 | Journal of Structural Biology | 2015 | 41 |
| 19 | Delineating the activation mechanism and conformational landscape of a class B G protein-coupled receptor glucagon receptor | Computational and Structural Biotechnology Journal | 2022 | 40 |
| 20 | Insight into the selective binding mechanism of DNMT1 and DNMT3A inhibitors: a molecular simulation study | Physical Chemistry Chemical Physics | 2019 | 39 |
| 21 | Membrane and genomic DNA dual-targeting of citrus flavonoid naringenin against Staphylococcus aureus | Integrative Biology (United Kingdom) | 2017 | 36 |
| 22 | Voltage-gated sodium channels: structures, functions, and molecular modeling | Drug Discovery Today | 2019 | 36 |
| 23 | Facet engineered TiO2 hollow sphere for the visible-light-mediated degradation of antibiotics via ligand-to-metal charge transfer | Ceramics International | 2020 | 36 |
| 24 | Robust Beamforming Design for Intelligent Reflecting Surface Aided Cognitive Radio Systems With Imperfect Cascaded CSI | IEEE Transactions on Cognitive Communications and Networking | 2022 | 36 |
| 25 | H∞ and passive control for networked control systems under adaptive event-triggered scheme with actuator faults and randomly occurring nonlinear perturbations">Reliable mixed H∞ and passive control for networked control systems under adaptive event-triggered scheme with actuator faults and randomly occurring nonlinear perturbations | ISA Transactions | 2019 | 35 |
| 26 | Design, synthesis and evaluation of cinnamic acid ester derivatives as mushroom tyrosinase inhibitors | MedChemComm | 2018 | 33 |
| 27 | Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays | Genomics, Proteomics and Bioinformatics | 2018 | 32 |
| 28 | Application of reverse docking for target prediction of marine compounds with anti-tumor activity | Journal of Molecular Graphics and Modelling | 2017 | 31 |
| 29 | CoDockPP: A Multistage Approach for Global and Site-Specific Protein–Protein Docking | Journal of Chemical Information and Modeling | 2019 | 30 |
| 30 | Global and Local Feature Reconstruction for Medical Image Segmentation | IEEE Transactions on Medical Imaging | 2022 | 30 |
| 31 | Improvement of Prediction Performance With Conjoint Molecular Fingerprint in Deep Learning | Frontiers in Pharmacology | 2020 | 29 |
| 32 | Harnessing Reversed Allosteric Communication: A Novel Strategy for Allosteric Drug Discovery | Journal of Medicinal Chemistry | 2021 | 29 |
| 33 | Adaptive projective synchronization for time-delayed fractional-order neural networks with uncertain parameters and its application in secure communications | Transactions of the Institute of Measurement and Control | 2018 | 28 |
| 34 | Discovery of Novel GR Ligands toward Druggable GR Antagonist Conformations Identified by MD Simulations and Markov State Model Analysis | Advanced Science | 2022 | 28 |
| 35 | Benzo[ c ][1,2,5]thiadiazole derivatives: A new class of potent Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) inhibitors | Bioorganic and Medicinal Chemistry Letters | 2017 | 27 |
| 36 | Theoretical Studies on the Selectivity Mechanisms of Glycogen Synthase Kinase 3β (GSK3β) with Pyrazine ATP-competitive Inhibitors by 3DQSAR, Molecular Docking, Molecular Dynamics Simulation and Free Energy Calculations | Current Computer-Aided Drug Design | 2020 | 24 |
| 37 | Reliability of Docking-Based Virtual Screening for GPCR Ligands with Homology Modeled Structures: A Case Study of the Angiotensin II Type I Receptor | ACS Chemical Neuroscience | 2019 | 23 |
| 38 | Integrating Machine Learning-Based Virtual Screening With Multiple Protein Structures and Bio-Assay Evaluation for Discovery of Novel GSK3β Inhibitors | Frontiers in Pharmacology | 2020 | 23 |
| 39 | Importance of protein flexibility in molecular recognition: a case study on Type-I1/2 inhibitors of ALK | Physical Chemistry Chemical Physics | 2018 | 22 |
| 40 | Theoretical studies on the selectivity mechanisms of PI3Kδ inhibition with marketed idelalisib and its derivatives by 3D-QSAR, molecular docking, and molecular dynamics simulation | Journal of Molecular Modeling | 2019 | 22 |
| 41 | Analysis and Design of Active Disturbance Rejection Control With an Improved Extended State Observer for Systems With Measurement Noise | IEEE Transactions on Industrial Electronics | 2023 | 22 |
| 42 | Rational Design of Novel Phosphoinositide 3‐Kinase Gamma (PI3Kγ) Selective Inhibitors: A Computational Investigation Integrating 3D‐QSAR, Molecular Docking and Molecular Dynamics Simulation | Chemistry and Biodiversity | 2019 | 21 |
| 43 | The selenium-containing drug ebselen potently disrupts LEDGF/p75-HIV-1 integrase interaction by targeting LEDGF/p75 | Journal of Enzyme Inhibition and Medicinal Chemistry | 2020 | 20 |
| 44 | Ag/Ag2O confined visible-light driven catalyst for highly efficient selective hydrogenation of nitroarenes in pure water medium at room temperature | Chemical Engineering Journal | 2020 | 19 |
| 45 | Exploring the molecular basis of RNA recognition by the dimeric RNA-binding protein via molecular simulation methods | RNA Biology | 2016 | 18 |
| 46 | VfoldLA: A web server for loop assembly-based prediction of putative 3D RNA structures | Journal of Structural Biology | 2019 | 18 |
| 47 | Extreme Multistability in Simple Area-Preserving Map | IEEE Access | 2020 | 18 |
| 48 | The impact of cross-docked poses on performance of machine learning classifier for protein–ligand binding pose prediction | Journal of Cheminformatics | 2021 | 18 |
| 49 | How Does the L884P Mutation Confer Resistance to Type-II Inhibitors of JAK2 Kinase: A Comprehensive Molecular Modeling Study | Scientific Reports | 2017 | 16 |
| 50 | Comprehensive assessment of nine docking programs on type II kinase inhibitors: prediction accuracy of sampling power, scoring power and screening power | Briefings in Bioinformatics | 2018 | 16 |
