Author details

Full Name

Shan Chang

Affiliation

ORCID

Career Start Year

2007

Papers

H Index

Expertise

CM4AI Collaborator

PMID	Paper Title	Journal Title	Published Year
37161102	Antibody sequences assembly method based on weighted de Bruijn graph.		2023
37919999	Spine MRI image segmentation method based on ASPP and U-Net network.		2023
37905971	Impact of AlphaFold on structure prediction of protein complexes: The CASP15-CAPRI experiment.	Proteins	2023
36899622	Generating new protein sequences by using dense network and attention mechanism.		2023
37194703	nCoVDock2: a docking server to predict the binding modes between COVID-19 targets and its potential ligands.		2023
37250048	Docking guided phase display to develop fusion protein with novel scFv and alkaline phosphatase for one-step ELISA salbutamol detection.		2023
36857616	Designing antimicrobial peptides using deep learning and molecular dynamic simulations.		2023
34473619	COVID-19 Imaging-based AI Research - A Literature Review.	Current Medical Imaging	2022
36121086	Research Progress of Pectin Methylesterase and its Inhibitors.	Current Protein and Peptide Science	2022
35289353	HLA3D: an integrated structure-based computational toolkit for immunotherapy.	Briefings in Bioinformatics	2022
35140614	ER/AR Multi-Conformational Docking Server: A Tool for Discovering and Studying Estrogen and Androgen Receptor Modulators.	Frontiers in Pharmacology	2022
34422013	Improving Molecule Generation by Embedding LSTM and Attention Mechanism in CycleGAN.	Frontiers in Genetics	2021
33511933	Recent Progress of Deep Learning in Drug Discovery.	Current Pharmaceutical Design	2021
34517552	Prediction of conotoxin type based on long short-term memory network.	Mathematical Biosciences and Engineering	2021
34775203	Novel natural scaffold as hURAT1 inhibitor identified by 3D-shape-based, docking-based virtual screening approach and biological evaluation.	Bioorganic Chemistry	2021
30868332	Two- and three-dimensional QSAR studies on hURAT1 inhibitors with flexible linkers: topomer CoMFA and HQSAR.	Molecular Diversity	2020
31746287	An Overview of Computational Tools of Nucleic Acid Binding Site Prediction for Site-specific Proteins and Nucleases.	Protein and Peptide Letters	2020
32181952	Template-based modeling and ab-initio docking using CoDock in CAPRI.	Proteins: Structure, Function and Bioinformatics	2020
31834987	Identify old drugs as selective bacterial Î²-GUS inhibitors by structural-based virtual screening and bio-evaluations.		2020
32228103	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
33488387	Improvement of Prediction Performance With Conjoint Molecular Fingerprint in Deep Learning.	Frontiers in Pharmacology	2020
32692801	COVID-19 Docking Server: a meta server for docking small molecules, peptides and antibodies against potential targets of COVID-19.		2020
33058459	Multitask deep networks with grid featurization achieve improved scoring performance for protein-ligand binding.		2020
31254557	A HTRF based competitive binding assay for screening specific inhibitors of HIV-1 capsid assembly targeting the C-Terminal domain of capsid.	Antiviral Research	2019
31572840	Helix-Based RNA Landscape Partition and Alternative Secondary Structure Determination.	ACS Omega	2019
32047753	Inhibition Mechanism of Indoleamine 2, 3-Dioxygenase 1 (IDO1) by Amidoxime Derivatives and Its Revelation in Drug Design: Comparative Molecular Dynamics Simulations.	Frontiers in Molecular Biosciences	2019
31612567	Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment.	Proteins	2019
30593257	Inhibition of programmed cell death protein ligand-1 (PD-L1) by benzyl ether derivatives: analyses of conformational change, molecular recognition and binding free energy.	Journal of Biomolecular Structure and Dynamics	2019
30626119	Molecular Dynamics Simulations of Wild Type and Mutants of SAPAP in Complexed with Shank3.	International Journal of Molecular Sciences	2019
30816277	Probing the Behaviour of Cas1-Cas2 upon Protospacer Binding in CRISPR-Cas Systems using Molecular Dynamics Simulations.	Scientific Reports	2019
31276391	CoDockPP: A Multistage Approach for Global and Site-Specific Protein-Protein Docking.	Journal of Chemical Information and Modeling	2019
31218945	Applications of Molecular Simulation in the Discovery of Antituberculosis Drugs: A Review.	Protein and Peptide Letters	2019
31165133	Insight into the selective binding mechanism of DNMT1 and DNMT3A inhibitors: a molecular simulation study.	Physical Chemistry Chemical Physics	2019
29420886	Benchmark Study Based on 2P2I to Gain Insights into the Discovery of Small-Molecule PPI Inhibitors.	Journal of Physical Chemistry B	2018
30639122	Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays.		2018
29270587	Importance of protein flexibility on molecular recognition: modeling binding mechanisms of aminopyrazine inhibitors to Nek2.	Physical Chemistry Chemical Physics	2018
29383359	Importance of protein flexibility in molecular recognition: a case study on Type-I1/2 inhibitors of ALK.	Physical Chemistry Chemical Physics	2018
28318251	Molecular Simulation Studies on the Binding Selectivity of Type-I Inhibitors in the Complexes with ROS1 versus ALK.	Journal of Chemical Information and Modeling	2017
28388001	Exploring the RNA-bound and RNA-free human Argonaute-2 by molecular dynamics simulation method.		2017
28831147	How Does the L884P Mutation Confer Resistance to Type-II Inhibitors of JAK2 Kinase: A Comprehensive Molecular Modeling Study.	Scientific Reports	2017
27592836	Exploring the molecular basis of RNA recognition by the dimeric RNA-binding protein via molecular simulation methods.	RNA Biology	2016
27301448	Unraveling the conformational determinants of LARP7 and 7SK small nuclear RNA by theoretical approaches.	Molecular BioSystems	2016
26925814	Prediction of human protein-protein interaction by a domain-based approach.	Journal of Theoretical Biology	2016
27803930	Potential Role of the Last Half Repeat in TAL Effectors Revealed by a Molecular Simulation Study.	BioMed Research International	2016
26178648	Understanding peptide competitive inhibition of botulinum neurotoxin A binding to SV2 protein via molecular dynamics simulations.	Biopolymers	2015
25734970	Molecular Dynamics Simulations of Ternary Complexes: Comparisons of LEAFY Protein Binding to Different DNA Motifs.	Journal of Chemical Information and Modeling	2015
25358067	Molecular dynamics simulations of wild type and mutants of botulinum neurotoxin A complexed with synaptic vesicle protein 2C.	Molecular BioSystems	2015
26142917	Molecular dynamics simulation study reveals potential substrate entry path into Î³-secretase/presenilin-1.	J Struct Biol	2015
24398688	Conopeptide Vt3.1 preferentially inhibits BK potassium channels containing Î²4 subunits via electrostatic interactions.	J Biol Chem	2014
23365687	Substrate recognition and motion mode analyses of PFV integrase in complex with viral DNA via coarse-grained models.	PLoS ONE	2013