PLIP: fully automated protein-ligand interaction profiler.
about
Proteins and Their Interacting Partners: An Introduction to Protein-Ligand Binding Site Prediction MethodsAurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases.MANORAA (Mapping Analogous Nuclei Onto Residue And Affinity) for identifying protein-ligand fragment interaction, pathways and SNPsOpen source molecular modelingIdentification of potential leads against 4-hydroxytetrahydrodipicolinate synthase from Mycobacterium tuberculosis.Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction.Rational design of non-resistant targeted cancer therapiesThe selectivity and promiscuity of brain-neuroregenerative inhibitors between ROCK1 and ROCK2 isoforms: An integration of SB-QSSR modelling, QM/MM analysis and in vitro kinase assay.Structure Based Docking and Molecular Dynamic Studies of Plasmodial Cysteine Proteases against a South African Natural Compound and its Analogs.Combined QSAR-based virtual screening and fluorescence binding assay to identify natural product mediators of Interferon Regulatory Factor 7 (IRF-7) in pulmonary infection.Arpeggio: A Web Server for Calculating and Visualising Interatomic Interactions in Protein StructuresStructure-based modelling, scoring, screening, and in vitro kinase assay of anesthetic pkc inhibitors against a natural medicine library.Characterization and mutational analysis of a nicotinamide mononucleotide deamidase from Agrobacterium tumefaciens showing high thermal stability and catalytic efficiencyDiscovery of a small-molecule binder of the oncoprotein gankyrin that modulates gankyrin activity in the cellNovel 5-oxo-hexahydroquinoline derivatives: design, synthesis, in vitro P-glycoprotein-mediated multidrug resistance reversal profile and molecular dynamics simulation study.Aromatic interactions at the ligand-protein interface: Implications for the development of docking scoring functions.Computational analysis of BACE1-ligand complex crystal structures and linear discriminant analysis for identification of BACE1 inhibitors with anti P-glycoprotein binding property.Role of sequence evolution and conformational dynamics in the substrate specificity and oligomerization mode of thymidylate kinases.From malaria to cancer: Computational drug repositioning of amodiaquine using PLIP interaction patterns.Identification of new potent inhibitors of dengue virus NS3 protease from traditional Chinese medicine database.Characterization of Chitosan Nanofiber Sheets for Antifungal Application.Discovery of Rab1 binding sites using an ensemble of clustering methods.An Integrative Drug Repurposing Pipeline: Switching Viral Drugs to Breast Cancer.Biophysical Studies on HCV 1a NS3/4A Protease and Its Catalytic Triad in Wild Type and Mutants by the In Silico Approach.AMMOS2: a web server for protein-ligand-water complexes refinement via molecular mechanicsFunctional significance of active site residues in the enzymatic component of the Clostridium difficile binary toxin.In silico approach for the discovery of new PPARγ modulators among plant-derived polyphenolsTargeting Neph1 and ZO-1 protein-protein interaction in podocytes prevents podocyte injury and preserves glomerular filtration function.Structural Insight into Inhibition of CsrA-RNA Interaction Revealed by Docking, Molecular Dynamics and Free Energy Calculations.GyrI-like proteins catalyze cyclopropanoid hydrolysis to confer cellular protection.Computer-Aided Drug Design Applied to Marine Drug Discovery: Meridianins as Alzheimer's Disease Therapeutic Agents.A systematic analysis of atomic protein-ligand interactions in the PDB.Superoxide Scavenging and Antiglycation Activity of Rhinacanthins-rich Extract Obtained from the Leaves of Rhinacanthus nasutus.Employing a biochemical protecting group for a sustainable indigo dyeing strategy.Target Identification and Mechanism of Action of Picolinamide and Benzamide Chemotypes with Antifungal Properties.Development of bisphenol A-removing recombinant Escherichia coli by monomeric and dimeric surface display of bisphenol A-binding peptide.Structural analysis of protein tyrosine phosphatase 1B reveals potentially druggable allosteric binding sites.MAGPIE: Simplifying access and execution of computational models in the life sciences.LiGRO: a graphical user interface for protein-ligand molecular dynamics.Ligand-based virtual screening, molecular docking, QSAR and pharmacophore analysis of quercetin-associated potential novel analogs against epidermal growth factor receptor.
P2860
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P2860
PLIP: fully automated protein-ligand interaction profiler.
description
2015 nî lūn-bûn
@nan
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
2015年论文
@zh
2015年论文
@zh-cn
name
PLIP: fully automated protein-ligand interaction profiler.
@ast
PLIP: fully automated protein-ligand interaction profiler.
@en
type
label
PLIP: fully automated protein-ligand interaction profiler.
@ast
PLIP: fully automated protein-ligand interaction profiler.
@en
prefLabel
PLIP: fully automated protein-ligand interaction profiler.
@ast
PLIP: fully automated protein-ligand interaction profiler.
@en
P2093
P2860
P356
P1476
PLIP: fully automated protein-ligand interaction profiler.
@en
P2093
Melissa F Adasme
Sebastian Salentin
Sven Schreiber
V Joachim Haupt
P2860
P304
P356
10.1093/NAR/GKV315
P407
P577
2015-04-14T00:00:00Z