Huanxiang Liu
Orcid: 0000-0002-9284-3667Affiliations:
- Department of Chemistry, Lanzhou University, Lanzhou, China
According to our database1,
Huanxiang Liu
authored at least 47 papers
between 2003 and 2023.
Collaborative distances:
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Bibliography
2023
Discovery of novel and potent InhA direct inhibitors by ensemble docking-based virtual screening and biological assays.
J. Comput. Aided Mol. Des., December, 2023
Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets.
J. Chem. Inf. Model., November, 2023
CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules.
J. Chem. Inf. Model., October, 2023
J. Comput. Biol., September, 2023
MpbPPI: a multi-task pre-training-based equivariant approach for the prediction of the effect of amino acid mutations on protein-protein interactions.
Briefings Bioinform., September, 2023
Improving drug-target affinity prediction via feature fusion and knowledge distillation.
Briefings Bioinform., May, 2023
Briefings Bioinform., March, 2023
Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning?
Briefings Bioinform., March, 2023
Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism.
Briefings Bioinform., January, 2023
2022
An adaptive graph learning method for automated molecular interactions and properties predictions.
Nat. Mach. Intell., 2022
J. Chem. Inf. Model., 2022
fastDRH: a webserver to predict and analyze protein-ligand complexes based on molecular docking and MM/PB(GB)SA computation.
Briefings Bioinform., 2022
2021
Discovery of novel IDO1 inhibitors via structure-based virtual screening and biological assays.
J. Comput. Aided Mol. Des., 2021
Briefings Bioinform., 2021
MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm.
Briefings Bioinform., 2021
2019
Carbon Nanoparticles Inhibit the Aggregation of Prion Protein as Revealed by Experiments and Atomistic Simulations.
J. Chem. Inf. Model., 2019
J. Chem. Inf. Model., 2019
2017
Int. J. Mach. Learn. Cybern., 2017
Discovery of small molecules binding to the normal conformation of prion by combining virtual screening and multiple biological activity evaluation methods.
J. Comput. Aided Mol. Des., 2017
2016
Molecular mechanism of R-bicalutamide switching from androgen receptor antagonist to agonist induced by amino acid mutations using molecular dynamics simulations and free energy calculation.
J. Comput. Aided Mol. Des., 2016
2015
In Silico Identification of Protein S-Palmitoylation Sites and Their Involvement in Human Inherited Disease.
J. Chem. Inf. Model., 2015
2014
Computational Study on the Drug Resistance Mechanism against HCV NS3/4A Protease Inhibitors Vaniprevir and MK-5172 by the Combination Use of Molecular Dynamics Simulation, Residue Interaction Network, and Substrate Envelope Analysis.
J. Chem. Inf. Model., 2014
2013
Exploring the Molecular Mechanism of Cross-Resistance to HIV-1 Integrase Strand Transfer Inhibitors by Molecular Dynamics Simulation and Residue Interaction Network Analysis.
J. Chem. Inf. Model., 2013
2012
Molecular mechanism of HIV-1 integrase-vDNA interactions and strand transfer inhibitor action: A molecular modeling perspective.
J. Comput. Chem., 2012
A sequence-based computational model for the prediction of the solvent accessible surface area for α-helix and β-barrel transmembrane residues.
J. Comput. Chem., 2012
2011
Molecular Dynamics Simulation and Free Energy Calculation Studies of the Binding Mechanism of Allosteric Inhibitors with p38α MAP Kinase.
J. Chem. Inf. Model., 2011
Molecular Dynamics Simulation, Free Energy Calculation and Structure-Based 3D-QSAR Studies of B-RAF Kinase Inhibitors.
J. Chem. Inf. Model., 2011
<i>In silico</i> prediction of deleterious single amino acid polymorphisms from amino acid sequence.
J. Comput. Chem., 2011
Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM-GBSA calculation.
J. Comput. Chem., 2011
2010
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set.
J. Chem. Inf. Model., 2010
J. Comput. Chem., 2010
A new strategy to improve the predictive ability of the local lazy regression and its application to the QSAR study of melanin-concentrating hormone receptor 1 antagonists.
J. Comput. Chem., 2010
Structure-based quantitative structure-activity relationship studies of checkpoint kinase 1 inhibitors.
J. Comput. Chem., 2010
2009
A novel method for protein-ligand binding affinity prediction and the related descriptors exploration.
J. Comput. Chem., 2009
2008
QSAR study of malonyl-CoA decarboxylase inhibitors using GA-MLR and a new strategy of consensus modeling.
J. Comput. Chem., 2008
Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of thiazolone derivatives as hepatitis C virus NS5B polymerase allosteric inhibitors.
J. Comput. Aided Mol. Des., 2008
2005
Prediction of the tissue/blood partition coefficients of organic compounds based on the molecular structure using least-squares support vector machines.
J. Comput. Aided Mol. Des., 2005
The prediction of human oral absorption for diffusion rate-limited drugs based on heuristic method and support vector machine.
J. Comput. Aided Mol. Des., 2005
2004
Diagnosing Anorexia Based on Partial Least Squares, Back Propagation Neural Network, and Support Vector Machines.
J. Chem. Inf. Model., 2004
QSAR Models for the Prediction of Binding Affinities to Human Serum Albumin Using the Heuristic Method and a Support Vector Machine.
J. Chem. Inf. Model., 2004
An Accurate QSPR Study of O-H Bond Dissociation Energy in Substituted Phenols Based on Support Vector Machines.
J. Chem. Inf. Model., 2004
Support Vector Machines-Based Quantitative Structure-Property Relationship for the Prediction of Heat Capacity.
J. Chem. Inf. Model., 2004
J. Chem. Inf. Model., 2004
Quantitative Prediction of log<i>k</i> of Peptides in High-Performance Liquid Chromatography Based on Molecular Descriptors by Using the Heuristic Method and Support Vector Machine.
J. Chem. Inf. Model., 2004
QSAR and classification models of a novel series of COX-2 selective inhibitors: 1, 5-diarylimidazoles based on support vector machines.
J. Comput. Aided Mol. Des., 2004
2003
QSAR Study of Ethyl 2-[(3-Methyl-2, 5-dioxo(3-pyrrolinyl))amino]-4-(trifluoromethyl) pyrimidine-5-carboxylate: An Inhibitor of AP-1 and NF-B Mediated Gene Expression Based on Support Vector Machines.
J. Chem. Inf. Comput. Sci., 2003
J. Chem. Inf. Comput. Sci., 2003