共 50 条
- [31] Virtual structure-based docking, WaterMap, and molecular dynamics guided identification of the potential natural compounds as inhibitors of protein-tyrosine phosphatase 1BJournal of Molecular Structure, 2021, 1226B, ManasaManandhar, SumanHari, GangadharPriya, KeerthiKumar B, HarishPai, K. Sreedhara Ranganath
- [32] Structure-based virtual screening of natural compounds as inhibitors of HCV using molecular docking and molecular dynamics simulation studiesJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2024, 42 (21): : 11574 - 11585Sabei, Fahad Y.Y. Safhi, AwajiAlmoshari, YosifSalawi, AhmadH. Sultan, MuhammadAli Bakkari, MohammedAlsalhi, AbdullahA. Madkhali, OsamaM. Jali, AbdulmajeedAhsan, Waquar
- [33] Structure-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation of VEGF inhibitors for the clinical treatment of Ovarian CancerJOURNAL OF MOLECULAR MODELING, 2022, 28 (04)Mukherjee, SouravAbdalla, MohnadYadav, ManasiMadhavi, MaddalaBhrdwaj, AnushkaKhandelwal, RavinaPrajapati, LeenaPanicker, AravindChaudhary, AashishAlbrakati, AshrafHussain, TajamulNayarisseri, AnurajSingh, Sanjeev Kumar
- [34] Structure-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation of VEGF inhibitors for the clinical treatment of Ovarian CancerJournal of Molecular Modeling, 2022, 28Sourav MukherjeeMohnad AbdallaManasi YadavMaddala MadhaviAnushka BhrdwajRavina KhandelwalLeena PrajapatiAravind PanickerAashish ChaudharyAshraf AlbrakatiTajamul HussainAnuraj NayarisseriSanjeev Kumar Singh
- [35] Identification of novel potential cathepsin-B inhibitors through pharmacophore-based virtual screening, molecular docking, and dynamics simulation studies for the treatment of Alzheimer's diseaseMOLECULAR DIVERSITY, 2024, 28 (06) : 4381 - 4401Jangra, JatinBajad, Nilesh GajananSingh, RaviKumar, AshokSingh, Sushil Kumar
- [36] In silico Structure-based Identification of Novel Acetylcholinesterase Inhibitors Against Alzheimer's DiseaseCNS & NEUROLOGICAL DISORDERS-DRUG TARGETS, 2018, 17 (01) : 54 - 68Iman, KanzalMirza, Muhammad UsmanMazhar, NaumanVanmeert, MichielIrshad, ImranKamal, Mohammad A.
- [37] Pharmacophore-based virtual screening, molecular docking and molecular dynamics simulation for identification of potential ERK inhibitorsJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2024, 42 (04): : 2153 - 2161Tian, YafengZhang, MiHeng, PanpanHou, HuaWang, Baoshan
- [38] Prediction of novel inhibitors for Crotalus adamanteus l-amino acid oxidase by repurposing FDA-approved drugs: a virtual screening and molecular dynamics simulation investigationDRUG AND CHEMICAL TOXICOLOGY, 2021, 44 (05) : 470 - 479Khedrinia, MostafaAryapour, HassanMianabadi, Manijeh
- [39] Repurposing of FDA-Approved Drugs for the Discovery of Inhibitors of Dengue Virus NS2B-NS3 Protease by Docking, Consensus Scoring, and Molecular Dynamics SimulationsBIOPHYSICAL JOURNAL, 2013, 104 (02) : 404A - 404ASegura-Cabrera, AldoGarcia-Perez, Carlos A.Guo, XianwuRodriguez-Perez, Mario A.
- [40] Repurposing of FDA-approved drugs as dual-acting MAO-B and AChE inhibitors against Alzheimer's disease: An in silico and in vitro studyJOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023, 122Mateev, EmilioKondeva-Burdina, MagdalenaGeorgieva, MayaZlatkov, Alexander