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Journal of Biomolecular Structure & Dynamics|November 11, 2020
p38α MAP kinase inhibitors to overcome EGFR tertiary C797S point mutation associated with osimertinib in non-small cell lung cancer (NSCLC): emergence of fourth-generation EGFR inhibitorIqrar Ahmad, Matin Shaikh, Sanjay Surana, et al.Journal of Biomolecular Structure & Dynamics|October 28, 2021
Celecoxib, Glipizide, Lapatinib, and Sitagliptin as potential suspects of aggravating SARS-CoV-2 (COVID-19) infection: a computational approachMohamed F AlAjmi, Md Tabish Rehman, Afzal HussainJournal of Biomolecular Structure & Dynamics|January 24, 2022
Repurposing FDA-approved drugs as HIV-1 integrase inhibitors: an in silico investigationChristopher Heng Xuan Ha, Nung Kion Lee, Taufiq Rahman, et al.Journal of Biomolecular Structure & Dynamics|January 24, 2022
An investigation for the interaction of gamma oryzanol with the Mpro of SARS-CoV-2 to combat COVID-19: DFT, molecular docking, ADME and molecular dynamics simulationsAnirudh Pratap Singh Raman, Madhur Babu Singh, Vijay Kumar Vishvakarma, et al.Journal of Biomolecular Structure & Dynamics|January 24, 2022
In vitro oxidation of hispidin and gallic acid by horseradish peroxidaseDamian Tarasek, Hubert Wojtasek, Khedidja Benarous, et al.Journal of Biomolecular Structure & Dynamics|January 24, 2022
Artecanin of Laurus nobilis is a novel inhibitor of SARS-CoV-2 main protease with highly desirable druglikenessMohammed Baqur S Al-Shuhaib, Hayder O Hashim, Jafar M B Al-Shuhaib, et al.Journal of Biomolecular Structure & Dynamics|May 2, 2022
Identification of potential human beta-secretase 1 inhibitors by hierarchical virtual screening and molecular dynamicsMayra Ramos do Bomfim, Deyse Brito Barbosa, Paulo Batista de Carvalho, et al.Journal of Biomolecular Structure & Dynamics|May 5, 2022
Combined study of docking and molecular dynamics against DNV-3 SN1 protein by bixinoidsAluísio Marques da Fonseca, Neidelênio Baltazar Soares, Maria Imaculada Lourenço Meirú, et al.Journal of Biomolecular Structure & Dynamics|February 1, 1985
The dependence of the surface electrostatic potential of B-DNA on environmental factorsR Lavery, B PullmanJournal of Biomolecular Structure & Dynamics|February 1, 1985
Monte Carlo simulation of myoglobin primary to helical structureN Anastasiou, C A CroxtonPageof 931