Jian Wan
Orcid: 0000-0003-4172-1392Affiliations:
- Central China Normal University, Department of Chemistry, Key Laboratory of Pesticide & Chemical Biology, Wuhan, China
According to our database1,
Jian Wan
authored at least 17 papers
between 2004 and 2023.
Collaborative distances:
Collaborative distances:
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on orcid.org
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Bibliography
2023
DOX_BDW: Incorporating Solvation and Desolvation Effects of Cavity Water into Nonfitting Protein-Ligand Binding Affinity Prediction.
J. Chem. Inf. Model., August, 2023
2020
Cov_FB3D: A De Novo Covalent Drug Design Protocol Integrating the BA-SAMP Strategy and Machine-Learning-Based Synthetic Tractability Evaluation.
J. Chem. Inf. Model., 2020
2017
Structure-Based Rational Design of Novel Inhibitors Against Fructose-1,6-Bisphosphate Aldolase from <i>Candida albicans</i>.
J. Chem. Inf. Model., June, 2017
2016
A Rational Design, Synthesis, Biological Evaluation and Structure-Activity Relationship Study of Novel Inhibitors against Cyanobacterial Fructose-1, 6-bisphosphate Aldolase.
J. Chem. Inf. Model., 2016
DOX: A new computational protocol for accurate prediction of the protein-ligand binding structures.
J. Comput. Chem., 2016
2015
Clarifying and illustrating the electronic energy transfer pathways in trimeric and hexameric aggregation state of cyanobacteria allophycocyanin within the framework of Förster theory.
J. Comput. Chem., 2015
2014
Pharmacophore-Based Virtual Screening and Experimental Validation of Novel Inhibitors against Cyanobacterial Fructose-1, 6-/Sedoheptulose-1, 7-bisphosphatase.
J. Chem. Inf. Model., 2014
2013
Understanding the electronic energy transfer pathways in the trimeric and hexameric aggregation state of cyanobacteria phycocyanin within the framework of förster theory.
J. Comput. Chem., 2013
2012
Structure-Based Design and Screen of Novel Inhibitors for Class II 3-Hydroxy-3-methylglutaryl Coenzyme A Reductase from Streptococcus Pneumoniae.
J. Chem. Inf. Model., 2012
2010
Structure-Based Rational Screening of Novel Hit Compounds with Structural Diversity for Cytochrome P450 Sterol 14α-Demethylase from Penicillium digitatum.
J. Chem. Inf. Model., 2010
2008
Binding Interaction Analysis of the Active Site and Its Inhibitors for Neuraminidase (N1 Subtype) of Human Influenza Virus by the Integration of Molecular Docking, FMO Calculation and 3D-QSAR CoMFA Modeling.
J. Chem. Inf. Model., 2008
2007
Rational Design Based on Bioactive Conformation Analysis of Pyrimidinylbenzoates as Acetohydroxyacid Synthase Inhibitors by Integrating Molecular Docking, CoMFA, CoMSIA, and DFT Calculations.
J. Chem. Inf. Model., 2007
Theoretical study of the vertical excited states of benzene, pyrimidine, and pyrazine by the symmetry adapted cluster - Configuration interaction method.
J. Comput. Chem., 2007
2006
Interactions of Aryloxyphenoxypropionic Acids with Sensitive and Resistant Acetyl-Coenzyme A Carboxylase by Homology Modeling and Molecular Dynamic Simulations.
J. Chem. Inf. Model., 2006
Implementation of CCNUGrid-Based Drug Virtual Screening Applications Using Workflow Techniques.
Proceedings of the Grid and Cooperative Computing Workshops, 2006
2004
Quantitative Structure-Activity Relationship for Cyclic Imide Derivatives of Protoporphyrinogen Oxidase Inhibitors: A Study of Quantum Chemical Descriptors from Density Functional Theory.
J. Chem. Inf. Model., 2004
Quantitative structure-activity relationships for phenyl triazolinones of protoporphyrinogen oxidase inhibitors: A density functional theory study.
J. Comput. Chem., 2004