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DFT studies on vibrational and electronic spectra, HOMO–LUMO, MEP, HOMA, NBO and molecular docking analysis of benzyl-3-N-(2,4,5-trimethoxyphenylmethylene)hydrazinecarbodithioate
Elsevier | 2020|Keywords: Molecular docking -
Spectral analysis and DFT investigation of some benzopyran analogues and their self-assemblies with graphene
Elsevier | 2020|Keywords: Molecular docking -
Synthesis, molecular docking and anti-diabetic evaluation of 2,4-thiazolidinedione based amide derivatives
Elsevier | 2017|Keywords: Molecular docking -
Design, synthesis, and molecular docking of novel 2‐arylbenzothiazole multiangiokinase inhibitors targeting breast cancer
Wiley | 2020|Keywords: molecular docking -
Molecular modeling and multispectroscopic studies of the interaction of mesalamine with bovine serum albumin
Elsevier | 2013|Keywords: Molecular docking -
Antiproliferative activity and molecular docking studies of new 4-oxothiazolidin-5-ylidene acetate derivatives containing guanylhydrazone moiety
Elsevier | 2022|Keywords: Molecular docking -
Design, synthesis, biological evaluation and molecular docking studies of novel benzofuran–pyrazole derivatives as anticancer agents
Elsevier | 2015|Keywords: Molecular docking -
Underlying molecular interaction of bovine serum albumin and linezolid: a biophysical outlook
Taylor & Francis Verlag | 2018|Keywords: molecular docking -
Novel chalcones derivatives with potential antineoplastic activity investigated by docking and molecular dynamics simulations
Taylor & Francis Verlag | 2022|Keywords: molecular docking -
Anticancer activity of thymol: A literature‐based review and docking study with Emphasis on its anticancer mechanisms
Wiley | 2019|Keywords: molecular docking -
Activation of catalase by pioglitazone: Multiple spectroscopic methods combined with molecular docking studies
Wiley | 2017|Keywords: molecular docking -
Structural study of letrozole and metronidazole and formation of self-assembly with graphene and fullerene with the enhancement of physical, chemical and biological activities
Taylor & Francis Verlag | 2021|Keywords: molecular docking -
In silico study of the potential interactions of 4′-acetamidechalcones with protein targets in SARS-CoV-2
Elsevier | 2020|Keywords: Molecular docking -
Synthesis, spectroscopic characterizations, enzyme inhibition, molecular docking study and DFT calculations of new Schiff bases of sulfa drugs
Elsevier | 2019|Keywords: Molecular docking -
Application of Medicinal Chemistry Methods on Different Classes of Drugs
Free accessBASE | 2014|Keywords: Molecular Docking -
A stepwise docking and molecular dynamics approach for enzymatic biolubricant production using Lipase Eversa® Transform as a biocatalyst
Elsevier | 2022|Keywords: Molecular docking -
Flavones as tyrosinase inhibitors: kinetic studies in vitro and in silico
Wiley | 2020|Keywords: molecular docking -
Copper complexes containing thiosemicarbazones derived from 6-nitropiperonal: Antimicrobial and biophysical properties
Elsevier | 2017|Keywords: Molecular docking -
Quantum Mechanical Studies of Three Aromatic Halogen-Substituted Bioactive Sulfonamidobenzoxazole Compounds with Potential Light Harvesting Properties
Taylor & Francis Verlag | 2021|Keywords: molecular docking -
Cordycepin activates AMP‐activated protein kinase (AMPK) via interaction with the γ1 subunit
Free accessWiley | 2014|Keywords: Molecular docking
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