Results 221 to 230 of about 2,447,781 (239)

Lead generation of UPPS inhibitors targeting MRSA: Using 3D-QSAR pharmacophore modeling, virtual screening, molecular docking, and molecular dynamic simulations. [PDF]

BMC Chem
Qandeel BM, Mowafy S, Abouzid K, Farag NA.   +3 more
europepmc   +1 more source

Proposal of pharmacophore model for HIV reverse transcriptase inhibitors: Combined mutational effect analysis, molecular dynamics, molecular docking and pharmacophore modeling study. [PDF]

Int J Immunopathol Pharmacol
Annan A, Raiss N, Lemrabet S, Elomari N, Elmir EH, Filali-Maltouf A, Medraoui L, Oumzil H.   +7 more
europepmc   +1 more source

Structure-based pharmacophore modeling 2. Developing a novel framework for structure-based pharmacophore model generation and selection

Journal of Molecular Graphics and Modelling, 2023
Pharmacophore models are three-dimensional arrangements of molecular features required for biological activity that are used in ligand identification efforts for many biological targets, including G protein-coupled receptors (GPCR).
Abby Parrill, Bernie Daigle, Daniel Baker   +2 more
exaly   +2 more sources

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Computer-aided screening for potential TMPRSS2 inhibitors: a combination of pharmacophore modeling, molecular docking and molecular dynamics simulation approaches

Journal of Biomolecular Structure and Dynamics, 2021
Olanrewaju Durojaye, Abeeb Abiodun Yekeen   +1 more
exaly  

QSAR and Pharmacophore Modeling of Nitrogen Heterocycles as Potent Human N-Myristoyltransferase (Hs-NMT) Inhibitors

Molecules, 2021
Vijay Masand, Magdi E A Zaki, Israa Lewaa   +2 more
exaly  

Identification of Novel Mitochondrial Pyruvate Carrier Inhibitors by Homology Modeling and Pharmacophore-Based Virtual Screening

Biomedicines, 2022
Brian N Finck, Kelly Pyles, Lamees Hegazy   +2 more
exaly  

Structure-Based Pharmacophore Modeling, Virtual Screening, Molecular Docking, ADMET, and Molecular Dynamics (MD) Simulation of Potential Inhibitors of PD-L1 from the Library of Marine Natural Products

Marine Drugs, 2022
Lianxiang Luo, Qu Wang
exaly  

Identification of potential inhibitors for LLM ofStaphylococcus aureus: structure-based pharmacophore modeling, molecular dynamics, and binding free energy studies

Journal of Biomolecular Structure and Dynamics, 2022
Vikram Dalal
exaly  

Drug Design by Pharmacophore and Virtual Screening Approach

Pharmaceuticals, 2022
Angelo Facchiano, Deborah Giordano
exaly  

Ligand-based pharmacophore modeling and QSAR approach to identify potential dengue protease inhibitors

Frontiers in Molecular Biosciences, 2023
T P Krishna Murthy, Swati Krishna
exaly