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Molecular Modeling in Drug Design
| Molecular Modeling in Drug Design |
| Autore | Wade Rebecca |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (220 p.) |
| Soggetto non controllato |
metadynamics
natural compounds virtual screening probe energies molecular dynamics simulation human ecto-5?-nucleotidase neural networks quantitative structure-activity relationship (QSAR) artificial intelligence allosterism in silico screening drug discovery amyloid fibrils mechanical stability adenosine receptors adenosine receptor ligand binding promiscuous mechanism AutoGrid dynamic light scattering resultant dipole moment density-based clustering Alzheimer’s disease drug design biophenols enzymatic assays all-atom molecular dynamics simulation fragment screening adenosine docking molecular docking cosolvent molecular dynamics turbidimetry squalene synthase (SQS) molecular recognition protein-peptide interactions extracellular loops FimH binding affinity rational drug design de novo design hyperlipidemia AR ligands aggregation property prediction PPI inhibition deep learning proteins quantitative structure-property prediction (QSPR) protein protein interactions boron cluster target-focused pharmacophore modeling ligand–protofiber interactions structure-based drug design scoring function grid maps solvent effect adhesion molecular dynamics Traditional Chinese Medicine steered molecular dynamics interaction energy EphA2-ephrin A1 molecular modeling method development |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910346839403321 |
Wade Rebecca
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Peptides for Health Benefits 2019 : Volume 2
| Peptides for Health Benefits 2019 : Volume 2 |
| Autore | Hernández-Ledesma Blanca |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 electronic resource (342 p.) |
| Soggetto topico |
Research & information: general
Biology, life sciences |
| Soggetto non controllato |
antihypertensive peptides
functional food food-derived fermentation Chlorella sorokiniana in silico BIOPEP-UWM database proteomics bioactive peptides nano liquid chromatography tandem mass spectrometry (nanoLC-nanoESI MS/MS) apolipoprotein E amyloid fibrils Alzheimer's disease Αβ oligomer amyloid Aβ peptide glioma platelets antiproliferative assay conjugation docetaxel doxorubicin extra domain B fibronectin Fmoc/tBu peptide-drug conjugate prostate cancer solid-phase synthesis targeting acrylamide enteric nervous system galanin pig stomach formyl peptide receptors ligands diseases polymicrobial biofilms intragenic antimicrobial peptide Hs02 Pseudomonas aeruginosa Staphylococcus aureus osteostatin arthritis inflammation immune response cartilage destruction bone erosion collagen hydrolysis enzyme molecular weight sheepskin NF-κB dry-cured pork ham angiotensin I converting enzyme endothelial dysfunction molecular blind docking Lactoferricin B (Lfcin B) Histatin-5 antimicrobial peptides (AMPs) antifungal activity proteome microarray synergy temporin MRSA antimicrobial peptide human keratinocytes pseudin-2 antisepsis, peptide antibiotics neurotensin asthma T cells In situ tetramer staining MHC tetramer antigen-specific confocal microscopy fresh tissue velvet antler alcalase hydrolysate antioxidant peptide protection ability oxidative stress Crassostrea angulata pidotimod CXCR3 monocyte migration PI3K/Akt pathway T cell immunomodulant host defense peptides membrane activity copper piscidins Clostridioides difficile prolactin-releasing peptide GPR10 RF-amide peptides food intake regulation energy expenditure neuroprotection signaling gender differences dyslipidemia obesity hyperglycemia pulmonary emphysema endothelial progenitor cells angiogenic precursor cells pegylated glucagon-like peptide 1 and endothelial regeneration miiuy croaker (Miichthys miiuy) swim bladder FPYLRH antioxidant activity cytoprotective effect antimicrobial peptides antimicrobial resistance AMP identification and design biosynthesis mode of action physico-chemical properties therapeutic potential insects Cecropins Cec-analogs MDR infectious diseases airway inflammation non-atopic asthma hybrid peptide pro-inflammatory cytokines sPLA2 MDA database proteolysis SMILES code foods nutrition chronic diseases nutraceuticals peptide vaccine immune checkpoint inhibitor humanized mouse cancer antigen immune suppression vasoactive intestinal peptide VPAC1 receptor VPAC2 receptor rheumatic diseases inflammatory bowel disease central nervous system diseases type 1 diabetes Sjögren's syndrome biomarkers human antimicrobial peptides defensins cathelicidins anti-inflammatory pro-inflammatory peptide combinatorial library library design screening mutagenesis prolyl-hydroxyproline (Pro-Hyp) hydroxyprolyl-glycine (Hyp-Gly) collagen peptide fibroblasts fetal bovine serum (FBS) AMD CNV VEGFR1 multimeric peptides oral delivery colorectal cancer cancer stem cells chemoprevention bioactive peptide lunasin ACE-inhibitory activity whey peptides molecular docking hypertension antibiotic resistance cystic fibrosis cryptides anti-biofilm peptides synergistic effects |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Peptides for Health Benefits 2019 |
| Record Nr. | UNINA-9910557492903321 |
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Hernández-Ledesma Blanca
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Peptides for Health Benefits 2019 : Volume 1
| Peptides for Health Benefits 2019 : Volume 1 |
| Autore | Hernández-Ledesma Blanca |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 electronic resource (340 p.) |
| Soggetto topico |
Research & information: general
Biology, life sciences |
| Soggetto non controllato |
antihypertensive peptides
functional food food-derived fermentation Chlorella sorokiniana in silico BIOPEP-UWM database proteomics bioactive peptides nano liquid chromatography tandem mass spectrometry (nanoLC-nanoESI MS/MS) apolipoprotein E amyloid fibrils Alzheimer's disease Αβ oligomer amyloid Aβ peptide glioma platelets antiproliferative assay conjugation docetaxel doxorubicin extra domain B fibronectin Fmoc/tBu peptide-drug conjugate prostate cancer solid-phase synthesis targeting acrylamide enteric nervous system galanin pig stomach formyl peptide receptors ligands diseases polymicrobial biofilms intragenic antimicrobial peptide Hs02 Pseudomonas aeruginosa Staphylococcus aureus osteostatin arthritis inflammation immune response cartilage destruction bone erosion collagen hydrolysis enzyme molecular weight sheepskin NF-κB dry-cured pork ham angiotensin I converting enzyme endothelial dysfunction molecular blind docking Lactoferricin B (Lfcin B) Histatin-5 antimicrobial peptides (AMPs) antifungal activity proteome microarray synergy temporin MRSA antimicrobial peptide human keratinocytes pseudin-2 antisepsis, peptide antibiotics neurotensin asthma T cells In situ tetramer staining MHC tetramer antigen-specific confocal microscopy fresh tissue velvet antler alcalase hydrolysate antioxidant peptide protection ability oxidative stress Crassostrea angulata pidotimod CXCR3 monocyte migration PI3K/Akt pathway T cell immunomodulant host defense peptides membrane activity copper piscidins Clostridioides difficile prolactin-releasing peptide GPR10 RF-amide peptides food intake regulation energy expenditure neuroprotection signaling gender differences dyslipidemia obesity hyperglycemia pulmonary emphysema endothelial progenitor cells angiogenic precursor cells pegylated glucagon-like peptide 1 and endothelial regeneration miiuy croaker (Miichthys miiuy) swim bladder FPYLRH antioxidant activity cytoprotective effect antimicrobial peptides antimicrobial resistance AMP identification and design biosynthesis mode of action physico-chemical properties therapeutic potential insects Cecropins Cec-analogs MDR infectious diseases airway inflammation non-atopic asthma hybrid peptide pro-inflammatory cytokines sPLA2 MDA database proteolysis SMILES code foods nutrition chronic diseases nutraceuticals peptide vaccine immune checkpoint inhibitor humanized mouse cancer antigen immune suppression vasoactive intestinal peptide VPAC1 receptor VPAC2 receptor rheumatic diseases inflammatory bowel disease central nervous system diseases type 1 diabetes Sjögren's syndrome biomarkers human antimicrobial peptides defensins cathelicidins anti-inflammatory pro-inflammatory peptide combinatorial library library design screening mutagenesis prolyl-hydroxyproline (Pro-Hyp) hydroxyprolyl-glycine (Hyp-Gly) collagen peptide fibroblasts fetal bovine serum (FBS) AMD CNV VEGFR1 multimeric peptides oral delivery colorectal cancer cancer stem cells chemoprevention bioactive peptide lunasin ACE-inhibitory activity whey peptides molecular docking hypertension antibiotic resistance cystic fibrosis cryptides anti-biofilm peptides synergistic effects |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Peptides for Health Benefits 2019 |
| Record Nr. | UNINA-9910557631703321 |
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Hernández-Ledesma Blanca
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||
| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Protein Adsorption and Conformational Changes
| Protein Adsorption and Conformational Changes |
| Autore | Assfalg Michael |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (100 p.) |
| Soggetto topico |
Research & information: general
Biology, life sciences Biochemistry |
| Soggetto non controllato |
sarcoplasmic reticulum Ca2+-ATPase
Cu+-ATPase phospholipid flippase charge displacement concentration jump solid supported membrane conformational transition electrogenicity ion translocation phospholipid flipping protein-nanoparticle interactions protein NMR amyloidogenic proteins nitroxide paramagnetic perturbation spin label extrinsic probes Tempol β2-microglobulin protein conformation protein-surface association lipid membranes surface-immobilized protein EPR spectroscopy alpha-synuclein amyloid fibrils conformational flexibility protein adsorption protein aggregation nano-bio interface nanocomposite nanoparticles supramolecular assembly NMR spectroscopy gold nanoparticles PEGylation adsorption passivation |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910566466103321 |
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Assfalg Michael
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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