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Molecular Diversity|January 19, 2023
Spectroscopic, crystal structure and DFT-assisted studies of some nickel(II) chelates of a heterocyclic-based NNO donor aroylhydrazone: in vitro DNA binding and docking studiesYamuna Nair, Francis Joy, T P Vinod, et al.
Molecular Diversity|January 13, 2023
LGBM-ACp: an ensemble model for anticancer peptide prediction and in silico screening with potential drug targetsSwarnava Garai, Juanit Thomas, Palash Dey, et al.
Molecular Diversity|January 7, 2023
Recent synthetic strategies of small heterocyclic organic molecules with optoelectronic applications: a reviewRamsha Iftikhar, Faiza Zahid Khan, Naila Naeem
Molecular Diversity|January 13, 2021
Synthesis of new chrysin derivatives with substantial antibiofilm activitySukhen Bhowmik, Pragya Anand, Riyanki Das, et al.
Molecular Diversity|July 1, 2021
In silico prediction of chemical-induced hematotoxicity with machine learning and deep learning methodsYuqing Hua, Yinping Shi, Xueyan Cui, et al.
Molecular Diversity|June 23, 2021
Discovery of novel DGAT1 inhibitors by combination of machine learning methods, pharmacophore model and 3D-QSAR modelHui Zhang, Chen Shen, Hong-Rui Zhang, et al.
Molecular Diversity|May 31, 2022
Amentoflavone derivatives significantly act towards the main protease (3CLPRO/MPRO) of SARS-CoV-2: in silico admet profiling, molecular docking, molecular dynamics simulation, network pharmacologyDipta Dey, Rajib Hossain, Partha Biswas, et al.
Molecular Diversity|June 1, 2022
Designing of disruptor molecules to restrain the protein-protein interaction network of VANG1/SCRIB/NOS1AP using fragment-based drug discovery techniquesSuchandra Roy Acharyya, Plaboni Sen, Thirukumaran Kandasamy, et al.
Molecular Diversity|November 27, 2022
Molecular dynamics articulated multilevel virtual screening protocol to discover novel dual PPAR α/γ agonists for anti-diabetic and metabolic applicationsSubhankar Mandal, Syed Faizan, Nulgumnalli Manjunathaiah Raghavendra, et al.
Molecular Diversity|November 29, 2022
Oncoinformatic screening of the gene clusters involved in the HER2-positive breast cancer formation along with the in silico pharmacodynamic profiling of selective long-chain omega-3 fatty acids as the metastatic antagonistsA K M Helal Morshed, Salauddin Al Azad, Md Abdur Rashid Mia, et al.
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