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Recent Advances of In-Silico Modeling of Potent Antagonists for the Adenosine Receptors.

Discovery of Novel DPP-IV Inhibitors as Potential Candidates for the Treatment of Type 2 Diabetes Mellitus Predicted by 3D QSAR Pharmacophore Models, Molecular Docking and De Novo Evolution

Pharmacophore Models sentence examples within Two Pharmacophore Models

In silico and in vitro identification of candidate SIRT1 activators from Indonesian medicinal plants compounds database

An insight into selective and potent inhibition of histone deacetylase 8 through induced-fit docking, pharmacophore modeling and QSAR studies

Pharmacophore Models sentence examples within Qsar Pharmacophore Models

3D QSAR pharmacophore-based virtual screening for the identification of potential inhibitors of tyrosinase

Synthesis, biological evaluation and 3D-QSAR studies of 1,2,4-triazole-5-substituted carboxylic acid bioisosteres as uric acid transporter 1 (URAT1) inhibitors for the treatment of hyperuricemia associated with gout.

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Pharmacophore Models sentence examples within Feature Pharmacophore Models

Structure based identification of novel inhibitors against ATP synthase of Mycobacterium tuberculosis: A combined in silico and in vitro study.

Multicomplex-based pharmacophore modeling in conjunction with multi-target docking and molecular dynamics simulations for the identification of PfDHFR inhibitors

Pharmacophore Models sentence examples within Generate Pharmacophore Models

Identification of small-molecule urea derivatives as novel NAMPT inhibitors via pharmacophore-based virtual screening.

Identification of some novel pyrazolo[1,5-a]pyrimidine derivatives as InhA inhibitors through pharmacophore-based virtual screening and molecular docking

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Discovery of Novel Irreversible HER2 Inhibitors for Breast Cancer Treatment

Identification of selective MMP-9 inhibitors through multiple e-pharmacophore, ligand-based pharmacophore, molecular docking, and density functional theory approaches

Pharmacophore Modelling and Screening: Concepts, Recent Developments and Applications in Rational Drug Design

Identification of human tau-tubulin kinase 1 inhibitors: an integrated e-pharmacophore-based virtual screening and molecular dynamics simulation

Revised Pharmacophore Model for 5-HT2A Receptor Antagonists Derived from the Atypical Antipsychotic Agent Risperidone.

[Anti-platelet aggregation mechanism of Xixian Tongshuan Preparation based on molecular simulation methods].

Targeting the Side-Chain Convergence of Hydrophobic α-Helical Hot Spots to Design Small-Molecule Mimetics: Key Binding Features for i, i + 3 and i + 7.

In Silico Characterization of Structural Distinctions between Isoforms of Human and Mouse Sphingosine Kinases for Accelerating Drug Discovery

Examining the stability of binding modes of the co-crystallized inhibitors of human HDAC8 by molecular dynamics simulation

Structure-based Predictions for Molecular Initiating Events

Rat Organic Cation Transporter 1 Contains Three Binding Sites for Substrate 1-Methyl-4-phenylpyridinium per Monomer

Fingerprints and Pharmacophores

Structure‐based pharmacophore models to probe anticancer activity of inhibitors of protein kinase B‐beta (PKB β)

Neonicotinoids activity against Cowpea aphids by computational estimation

Pharmacophore-Based Virtual Screening and Molecular Docking Studies to Identify Selective Inhibitors of Phosphodiesterase 4B

Steroid sulfatase inhibiting lanostane triterpenes - Structure activity relationship and in silico insights.

Pharmacophore model of immunocheckpoint protein PD-L1 by cosolvent molecular dynamics simulations.

Virtual Screening Using Pharmacophore Models Retrieved from Molecular Dynamic Simulations

[Identifying Inhibitors of USP7-HDM2 Protein-Protein Interaction (PPI) by the in Silico Fragment-mapping Method].

Identification of potential leukocyte antigen-related protein (PTP-LAR) inhibitors through 3D QSAR pharmacophore-based virtual screening and molecular dynamics simulation

Modifications on C6 and C7 Positions of 3-Phenylquinolone Efflux Pump Inhibitors Led to Potent and Safe Antimycobacterial Treatment Adjuvants.

Discovery of Novel Acetylcholinesterase Inhibitors as Potential Candidates for the Treatment of Alzheimer’s Disease

Multiple e-Pharmacophore modeling to identify a single molecule that could target both streptomycin and paromomycin binding sites for 30S ribosomal subunit inhibition

Comparison of orexin 1 and orexin 2 ligand binding modes using X-ray crystallography and computational analysis.

Virtual Screening with a Structure-Based Pharmacophore Model to Identify Small-Molecule Inhibitors of CARM1

Dual-targeted hit identification using pharmacophore screening

Xenobiotics interfering with corticosteroid action : from adrenal steroid synthesis to peripheral receptor activity

Conservation and Relevance of Pharmacophore Point Types

Targeting the NF-κB/IκBα complex via fragment-based E-Pharmacophore virtual screening and binary QSAR models.

Multiple Virtual Screening Strategies for the Discovery of Novel Compounds Active Against Dengue Virus: A Hit Identification Study

Expansion of the scaffold diversity for the development of highly selective butyrylcholinesterase (BChE) inhibitors: Discovery of new hits through the pharmacophore model generation, virtual screening and molecular dynamics simulation.

Determination of comprehensive in silico determinants as a strategy for identification of novel PI3Kα inhibitors

The Pharmacophore Concept and Its Applications in Computer-Aided Drug Design.

An integrated computational approach to identify GC minor groove binders using various molecular docking scoring functions, dynamics simulations and binding free energy calculations

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Pharmacophore Models 약전 모델

Pharmacophore Models 약전 모델
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