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Journal of Biomolecular Structure & Dynamics|September 16, 2020
Targeting SARS-CoV-2 Nsp12/Nsp8 interaction interface with approved and investigational drugs: an in silico structure-based approachOzal Mutlu, Osman Mutluhan Ugurel, Emrah Sariyer, et al.Journal of Biomolecular Structure & Dynamics|September 23, 2020
Molecular modeling and dynamic simulation of chicken Mx protein with the S631N polymorphismVijayakumar Gosu, Donghyun Shin, Ki-Duk Song, et al.Journal of Biomolecular Structure & Dynamics|January 15, 2020
Discovery of new AKT1 inhibitors by combination of in silico structure based virtual screening approaches and biological evaluationsFilip Fratev, Denisse A Gutierrez, Renato J Aguilera, et al.Journal of Biomolecular Structure & Dynamics|December 25, 2019
A-CaMP: a tool for anti-cancer and antimicrobial peptide generationAman Chandra Kaushik, Aamir Mehmood, Shaoliang Peng, et al.Journal of Biomolecular Structure & Dynamics|January 9, 2020
Investigating the mechanism of binding of nalidixic acid with deoxyribonucleic acid and serum albumin: a biophysical and molecular docking approachesSharmin Siddiqui, Anam Mujeeb, Faisal Ameen, et al.Journal of Biomolecular Structure & Dynamics|January 18, 2020
Light-induced effects in glycine aqueous solution studied by Fourier transform infrared-emission spectroscopy and ultraviolet-visible spectroscopyEvgeni L Terpugov, Maxim S Kondratyev, Olga V DegtyarevaJournal of Biomolecular Structure & Dynamics|January 7, 2020
Structural and functional alterations of nitric oxide synthase 3 due to missense variants associate with high-altitude pulmonary edema through dynamic studyHema Kanipakam, Kavita Sharma, Tashi Thinlas, et al.Journal of Biomolecular Structure & Dynamics|January 7, 2020
Computer-aided screening for suppressor of variegation 4-20 homolog 1 inhibitors and their preliminary activity validation in human osteosarcomaRuxiao Zheng, Danfeng Liang, Na Jiang, et al.Journal of Biomolecular Structure & Dynamics|January 7, 2020
In-silico profiling and structural insights into the impact of nSNPs in the P. falciparum acetyl-CoA transporter gene to understand the mechanism of drug resistance in malariaRahila Sardar, Nidhi Katyal, Shahzaib Ahamad, et al.Journal of Biomolecular Structure & Dynamics|January 8, 2020
Structure-based virtual screening, free energy of binding and molecular dynamics simulations to propose novel inhibitors of Mtb-MurB oxidoreductase enzymeSonam Nirwan, Varun Chahal, Rita KakkarPageof 931