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Journal of Biomolecular Structure & Dynamics|April 18, 2023
Synthesis, anticancer activity, molecular docking and molecular dynamics studies of some pyrazole-chalcone hybridsAhmed A Al Otaibi, Sinad L Alshammari, Abdulmohsen Khalaf Dhahi Alsukaibi, et al.Journal of Biomolecular Structure & Dynamics|April 8, 2023
Structure-based molecular networking, molecular docking, dynamics simulation and pharmacokinetic studies of Olax subscorpioidea for identification of potential inhibitors against selected cancer targetsAkolade R Oladipupo, Stephenie C A Alaribe, Adeniyi S Ogunlaja, et al.Journal of Biomolecular Structure & Dynamics|April 8, 2023
Fragment-based investigation of thiourea derivatives as VEGFR-2 inhibitors: a cross-validated approach of ligand-based and structure-based molecular modeling studiesSuvankar Banerjee, Shristi Kejriwal, Balaram Ghosh, et al.Journal of Biomolecular Structure & Dynamics|April 8, 2023
Synthesis and anxiolytic effect of europium metallic complex containing lapachol [Eu(DBM)3. LAP] in adult zebrafish through serotonergic neurotransmission: in vivo and in silico approachJorge Fernando Silva de Menezes, Andrei Marcelino Sá Pires Silva, Edna Aparecida Faria de Almeida, et al.Journal of Biomolecular Structure & Dynamics|April 26, 2021
Molecular docking and pharmacophore models to probe binding hypothesis of inhibitors of hypoxia inducible factor-1Zaira Rehman, Ishrat Jabeen, Ammad Fahim, et al.Journal of Biomolecular Structure & Dynamics|March 30, 2023
Effect of temperature on hepatitis a virus and exploration of binding mode mechanism of phytochemicals from tinospora cordifolia: an insight into molecular docking, MM/GBSA, and molecular dynamics simulation studyMaheswata Moharana, Prakash Chandra Maharana, Subrat Kumar Pattanayak, et al.Journal of Biomolecular Structure & Dynamics|March 30, 2023
Interfacing manganese-based carbonaceous nanocomposites with plasma components: insights on protein interaction, structure and opsonizationYarima Sanchez Garcia, Thais Meira Menezes, Marcela Rodrigues Barros, et al.Journal of Biomolecular Structure & Dynamics|April 3, 2023
Quantitative structure activity relationship studies of androgen receptor binding affinity of endocrine disruptor chemicals with index of ideality of correlation, their molecular docking, molecular dynamics and ADME studiesSurbhi Goyal, Payal Rani, Monika Chahar, et al.Journal of Biomolecular Structure & Dynamics|April 3, 2023
Dynamics of the personalities of PCSK9 on missense variants (rs505151 and rs562556) from elderly cohort studies in BrazilVitor Galvão Lopes, Victor Fernandes de Oliveira, Livia Mendonça Munhoz Dati, et al.Journal of Biomolecular Structure & Dynamics|April 3, 2023
Comparative anti-Diabetic potential of phytocompounds from Dr. Duke's phytochemical and ethnobotanical database and standard antidiabetic drugs against diabetes hyperglycemic target proteins: an in silico validationD Jayabal, S Jayanthi, R Thirumalaisamy, et al.Pageof 935