New descriptors of amino acids and their application to peptide QSAR study

Zhihua Lin, Haixia Long, Bo Zhu, +2

Peptides

Medicinal ChemistryNew DescriptorsAmino AcidsBiochemistryNatural Sciences +10

QSAR study on angiotensin-converting enzyme inhibitor oligopeptides based on a novel set of sequence information descriptors

Xiaoyu Wang, Juan Wang, Yong Lin, +4

Journal of Molecular Modeling

Medicinal ChemistryDrug TargetBiochemistryMedicineNatural Sciences +8

Structural insight into the serotonin (5-HT) receptor family by molecular docking, molecular dynamics simulation and systems pharmacology analysis

Yuanqiang Wang, Weiwei Lin, Nan Wu, +5

Acta Pharmacologica Sinica

Molecular DockingDrug TargetMedicineRational Drug DesignReceptor (Biochemistry) +8

An altered peptide ligand for naïve cytotoxic T lymphocyte epitope of TRP-2(180–188) enhanced immunogenicity

Yan Tang, Zhihua Lin, Bing Ni, +4

Cancer Immunology Immunotherapy

AllergyAltered Peptide LigandAdaptive Immune SystemImmunologyImmunodominance +10

PD-1-Targeted Discovery of Peptide Inhibitors by Virtual Screening, Molecular Dynamics Simulation, and Surface Plasmon Resonance

Yuanqiang Wang, Haiqiong Guo, Zhiwei Feng, +7

Molecules

<i>In silico</i>design of novel benzohydroxamate-based compounds as inhibitors of histone deacetylase 6 based on 3D-QSAR, molecular docking, and molecular dynamics simulations

Han Chu, Qingxiu He, Juan Wang, +3

New Journal of Chemistry

Molecular PharmacologyMedicinal ChemistryEngineeringMedicineDrug Discovery +10

Molecular characterization of cathelicidin in tiger frog (Hoplobatrachus rugulosus): Antimicrobial activity and immunomodulatory activity

Jie Chen, Youfu Lin, Chen Jiahao, +2

Comparative Biochemistry and Physiology Part C Toxicology & Pharmacology

BiochemistryAntiparasitic AgentMedicineHoplobatrachus RugulosusAntimicrobial Activity +8

QSAR Modeling and Design of Cationic Antimicrobial Peptides Based on Structural Properties of Amino Acids

Yuanqiang Wang, Yuan Ding, Haixia Wen, +5

Combinatorial Chemistry & High Throughput Screening

Medicinal ChemistryDrug TargetAmino AcidsBiochemistryQsar Modeling +13

Predicting the Activity of ACE Inhibitory Peptides with a Novel Mode of Pseudo Amino Acid Composition

Shu Mao, Xiaoming Cheng, Yunru Zhang, +4

Protein and Peptide Letters

Bioorganic ChemistryPeptide EngineeringChemical BiologyPartial Least SquaresMedicinal Chemistry +17

Toward the Quantitative Prediction of T-Cell Epitopes: QSAR Studies on Peptides Having Affinity with the Class I MHC Molecular HLA-A*0201

Zhihua Lin, Yuzhang Wu, Bo Zhu, +2

Journal of Computational Biology