List of works - Shan Chang

A Benchmark Study Based on 2P2IDB to Gain Insights Into the Discovery of Small-Molecule PPI Inhibitors.

scientific article published on 8 February 2018

A HTRF based competitive binding assay for screening specific inhibitors of HIV-1 capsid assembly targeting the C-Terminal domain of capsid

scientific article published on 27 June 2019

A filter enhanced sampling and combinatorial scoring study for protein docking in CAPRI.

scientific article published in December 2007

A holistic molecular docking approach for predicting protein-protein complex structure

scientific article published in September 2010

Amino acid network and its scoring application in protein-protein docking

scientific article published on 26 December 2007

An overview of computational tools of nucleic acid binding site prediction for site-specific proteins and nucleases

scientific article published on 28 October 2019

Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment

scientific article published on 25 October 2019

CoDockPP: A Multistage Approach for Global and Site-Specific Protein-Protein Docking

scientific article published on 17 July 2019

Complex-type-dependent scoring functions in protein-protein docking

scientific article published on 8 May 2007

Computational model for protein unfolding simulation.

scientific article published on 15 June 2011

Conopeptide Vt3.1 preferentially inhibits BK potassium channels containing β4 subunits via electrostatic interactions. ⬇️

scientific article published on 07 January 2014

Construction and application of the weighted amino acid network based on energy

scientific article published on 04 May 2007

Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays

scientific article published on 01 December 2018

Disruption of the EGFR-SQSTM1 interaction by a stapled peptide suppresses lung cancer via activating autophagy and inhibiting EGFR signaling

scientific article published on 10 January 2020

Evolving model of amino acid networks

scientific article published on 24 June 2008

Exploring the RNA-bound and RNA-free human Argonaute-2 by molecular dynamics simulation method.

scientific article

Exploring the molecular basis of RNA recognition by the dimeric RNA-binding protein via molecular simulation methods.

scientific article published on 3 September 2016

Helix-Based RNA Landscape Partition and Alternative Secondary Structure Determination

scientific article published on 11 September 2019

How Does the L884P Mutation Confer Resistance to Type-II Inhibitors of JAK2 Kinase: A Comprehensive Molecular Modeling Study.

scientific article published on 22 August 2017

Importance of protein flexibility in molecular recognition: a case study on Type-I1/2 inhibitors of ALK.

scientific article published on 31 January 2018

Importance of protein flexibility on molecular recognition: modeling binding mechanisms of aminopyrazine inhibitors to Nek2.

scientific article published on 22 December 2017

Inclusion of the orientational entropic effect and low-resolution experimental information for protein-protein docking in Critical Assessment of PRedicted Interactions (CAPRI).

scientific article

Insight into the selective binding mechanism of DNMT1 and DNMT3A inhibitors: a molecular simulation study

scientific article published on 05 June 2019

Molecular Dynamics Simulations of Ternary Complexes: Comparisons of LEAFY Protein Binding to Different DNA Motifs

scientific article published on 16 March 2015

Molecular Dynamics Simulations of Wild Type and Mutants of SAPAP in Complexed with Shank3 ⬇️

journal article from 'International Journal of Molecular Sciences' published in 2019

Molecular Simulation Studies on the Binding Selectivity of Type-I Inhibitors in the Complexes with ROS1 versus ALK.

scientific article published on 20 March 2017

Molecular dynamics simulation study reveals potential substrate entry path into γ-secretase/presenilin-1.

scientific article published on 2 July 2015

Molecular dynamics simulations of DNA-free and DNA-bound TAL effectors

scientific article (publication date: 2013)

Molecular dynamics simulations of wild type and mutants of botulinum neurotoxin A complexed with synaptic vesicle protein 2C

scientific article published on 30 October 2014

Molecular dynamics simulations of wild type and mutants of human complement receptor 2 complexed with C3d ⬇️

scientific article published on January 28, 2013

Network models reveal stability and structural rearrangement of signal recognition particle

scientific article published in January 2012

Potential Role of the Last Half Repeat in TAL Effectors Revealed by a Molecular Simulation Study

scientific article published on 10 October 2016

Prediction of human protein-protein interaction by a domain-based approach

scientific article published on 26 February 2016

Protein-protein docking with binding site patch prediction and network-based terms enhanced combinatorial scoring.

scientific article published in November 2010

Scoring Function Based on Weighted Residue Network ⬇️

scientific article published on December 2, 2011

Stability and Folding Behavior Analysis of Zinc-Finger Using Simple Models ⬇️

scientific article published on October 19, 2010

Study on the interactions between diketo-acid inhibitors and prototype foamy virus integrase-DNA complex via molecular docking and comparative molecular dynamics simulation methods.

scientific article

Substrate recognition and motion mode analyses of PFV integrase in complex with viral DNA via coarse-grained models

scientific article

Substrate recognition and transport behavior analyses of amino acid antiporter with coarse-grained models.

scientific article published on 14 September 2010

Template-based modeling and ab-initio docking using CoDock in CAPRI

scientific article published on 17 March 2020

Understanding peptide competitive inhibition of botulinum neurotoxin A binding to SV2 protein via molecular dynamics simulations

scientific article published on 01 October 2015

Unraveling the conformational determinants of LARP7 and 7SK small nuclear RNA by theoretical approaches.

scientific article published on 15 June 2016

Vinculin motion modes analysis with elastic network model.

scientific article published on 27 December 2011

List of works by Shan Chang

A Benchmark Study Based on 2P2IDB to Gain Insights Into the Discovery of Small-Molecule PPI Inhibitors.

A HTRF based competitive binding assay for screening specific inhibitors of HIV-1 capsid assembly targeting the C-Terminal domain of capsid

A filter enhanced sampling and combinatorial scoring study for protein docking in CAPRI.

A holistic molecular docking approach for predicting protein-protein complex structure

Amino acid network and its scoring application in protein-protein docking

An overview of computational tools of nucleic acid binding site prediction for site-specific proteins and nucleases

Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment

CoDockPP: A Multistage Approach for Global and Site-Specific Protein-Protein Docking

Complex-type-dependent scoring functions in protein-protein docking

Computational model for protein unfolding simulation.

Conopeptide Vt3.1 preferentially inhibits BK potassium channels containing β4 subunits via electrostatic interactions. ⬇️

Construction and application of the weighted amino acid network based on energy

Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays

Disruption of the EGFR-SQSTM1 interaction by a stapled peptide suppresses lung cancer via activating autophagy and inhibiting EGFR signaling

Evolving model of amino acid networks

Exploring the RNA-bound and RNA-free human Argonaute-2 by molecular dynamics simulation method.

Exploring the molecular basis of RNA recognition by the dimeric RNA-binding protein via molecular simulation methods.

Helix-Based RNA Landscape Partition and Alternative Secondary Structure Determination

How Does the L884P Mutation Confer Resistance to Type-II Inhibitors of JAK2 Kinase: A Comprehensive Molecular Modeling Study.

Importance of protein flexibility in molecular recognition: a case study on Type-I1/2 inhibitors of ALK.

Importance of protein flexibility on molecular recognition: modeling binding mechanisms of aminopyrazine inhibitors to Nek2.

Inclusion of the orientational entropic effect and low-resolution experimental information for protein-protein docking in Critical Assessment of PRedicted Interactions (CAPRI).

Insight into the selective binding mechanism of DNMT1 and DNMT3A inhibitors: a molecular simulation study

Molecular Dynamics Simulations of Ternary Complexes: Comparisons of LEAFY Protein Binding to Different DNA Motifs

Molecular Dynamics Simulations of Wild Type and Mutants of SAPAP in Complexed with Shank3 ⬇️

Molecular Simulation Studies on the Binding Selectivity of Type-I Inhibitors in the Complexes with ROS1 versus ALK.

Molecular dynamics simulation study reveals potential substrate entry path into γ-secretase/presenilin-1.

Molecular dynamics simulations of DNA-free and DNA-bound TAL effectors

Molecular dynamics simulations of wild type and mutants of botulinum neurotoxin A complexed with synaptic vesicle protein 2C

Molecular dynamics simulations of wild type and mutants of human complement receptor 2 complexed with C3d ⬇️

Network models reveal stability and structural rearrangement of signal recognition particle

Potential Role of the Last Half Repeat in TAL Effectors Revealed by a Molecular Simulation Study

Prediction of human protein-protein interaction by a domain-based approach

Protein-protein docking with binding site patch prediction and network-based terms enhanced combinatorial scoring.

Scoring Function Based on Weighted Residue Network ⬇️

Stability and Folding Behavior Analysis of Zinc-Finger Using Simple Models ⬇️

Study on the interactions between diketo-acid inhibitors and prototype foamy virus integrase-DNA complex via molecular docking and comparative molecular dynamics simulation methods.

Substrate recognition and motion mode analyses of PFV integrase in complex with viral DNA via coarse-grained models

Substrate recognition and transport behavior analyses of amino acid antiporter with coarse-grained models.

Template-based modeling and ab-initio docking using CoDock in CAPRI

Understanding peptide competitive inhibition of botulinum neurotoxin A binding to SV2 protein via molecular dynamics simulations

Unraveling the conformational determinants of LARP7 and 7SK small nuclear RNA by theoretical approaches.

Vinculin motion modes analysis with elastic network model.