Dynamic Simulation of Underground Cable Laying for Digital Three-Dimensional Transmission Lines by Chunhua Fang, Wenqi Lu, Jialiang Liu, Xiuyou Yang, Jin Zhang

Subjects: Get full text

Antifungal activity and biocompatibility assessment with molecular docking and dynamic simulations of new pyrazole derivatives by Basma T. Abd-Elhalim, Ghada G. El-Bana, Ahmed F. El-Sayed, Ghada E. Abdel-Ghani

Subjects: Get full text

Topological ordering during flexible to rigid transitions in disordered networks by Micoulaut, Matthieu

Subjects: Get full text

Identification of potent TMPRSS4 inhibitors through structural modeling and molecular dynamics simulations by Ismail Hdoufane, Mehdi Oubahmane, Youssef Habibi, Christelle Delaite, Mohammed M. Alanazi, Driss Cherqaoui

Subjects: Get full text

Integrating machine learning and structure-based approaches for repurposing potent tyrosine protein kinase Src inhibitors to treat inflammatory disorders by Muhammad Waleed Iqbal, Muhammad Shahab, Zakir ullah, Guojun Zheng, Irfan Anjum, Gamal A. Shazly, Atrsaw Asrat Mengistie, Xinxiao Sun, Qipeng Yuan

Subjects: Get full text

Inhibitory effect of procyanidin B2 and tannin acid on cholesterol esterase and their synergistic effect with orlistat by Xiangxin Li, Yijing Pu, Haitao Jiang, Wenxiao Jiao, Wenjun Peng, Wenli Tian, Weibo Jiang, Xiaoming Fang

Subjects: Get full text

Erratum: Integrative genomic analyses combined with molecular dynamics simulations reveal the impact of deleterious mutations of Bcl-2 gene on the apoptotic machinery and implicati... by Frontiers Production Office

Subjects: Get full text

Sculpting multi-epitope vaccine against Monkeypox viral strains using immunoinformatics by Zaira Rehman, Ammad Fahim, Maryam Irtash

Subjects: Get full text

Integrative genomic analyses combined with molecular dynamics simulations reveal the impact of deleterious mutations of Bcl-2 gene on the apoptotic machinery and implications in ca... by Ghazi Elamin, Ghazi Elamin, Zhichao Zhang, Depika Dwarka, Kabange Kasumbwe, John Mellem, Nompumelelo P. Mkhwanazi, Paradise Madlala, Paradise Madlala, Mahmoud E. S. Soliman

Subjects: Get full text

Targeting aldose reductase using natural African compounds as promising agents for managing diabetic complications by Miriam E. L. Gakpey, Shadrack A. Aidoo, Toheeb A. Jumah, George Hanson, Siyabonga Msipa, Florence N. Mbaoji, Omonijo Bukola, Palesa C. Tjale, Mamadou Sangare, Hedia Tebourbi, Olaitan I. Awe

Subjects: Get full text

Identifying natural inhibitors against FUS protein in dementia through machine learning, molecular docking, and dynamics simulation by Darwin Li

Subjects: Get full text

Silymarin as a Therapeutic Agent for Hepatocellular Carcinoma: A Multi-Approach Computational Study by Ouided Benslama, Sabrina Lekmine, Hamza Moussa, Hichem Tahraoui, Mohammad Shamsul Ola, Jie Zhang, Abdeltif Amrane

Subjects: Get full text

Computational antidiabetic assessment of Salvia splendens L. polyphenols: SMOTE, ADME, ProTox, docking, and molecular dynamic studies by Hatun A. Alomar, Wafaa M. El Kady, Asmaa A. Mandour, Amany A. Naim, Neveen I. Ghali, Taghreed A. Ibrahim, Noha Fathallah

Subjects: Get full text

Drug Target Investigation of <i>N</i>-<i>p</i>-Coumaroyl-<i>N</i>’-Caffeoylputrescine, a Naturally-Occurring Alkaloid Derived from <i>Saxifraga tangutica</i> by Chuang Liu, Jun Dang, Minchen Wu

Subjects: Get full text

Nanobody engineering: computational modelling and design for biomedical and therapeutic applications by Nehad S. El Salamouni, Jordan H. Cater, Lisanne M. Spenkelink, Haibo Yu

Subjects: Get full text

Force fields for molecular dynamics simulations of charged dust particles with finite size in complex plasmas by N. Kh. Bastykova, N.E. Djienbekov, T.S. Ramazanov, S.K. Kodanova

Subjects: Get full text

Comparative study of the effects of different lipid oxidation simulation systems on the physicochemical properties of proteins isolated from four cultivated walnut (Juglans sigilla... by Wenyun Xiong, Lixin Ding, Wendie Cui, Lei Zhao, Shengbao Cai

Subjects: Get full text

Toll-like receptor 4 pathway evolutionary trajectory and functional emergence by Shailya Verma, Ramanathan Sowdhamini, Ramanathan Sowdhamini, Ramanathan Sowdhamini

Subjects: Get full text

Structural comparison of human and Plasmodium proteasome β5 subunits: informing selective inhibitor design for anti-malaria agents by Muhammad Yasir, Jinyoung Park, Eun-Taek Han, Won Sun Park, Jin-Hee Han, Wanjoo Chun

Subjects: Get full text

Lucidin from <i>Rubia cordifolia</i> Outperforms FDA-Approved Lapatinib as a Potential Multitargeted Candidate for Breast Cancer Signalling Proteins by Akram Ahmed Aloqbi, Hadil Alahdal, Amany I. Alqosaibi, Mashael M. Alnamshan, Ibtesam S. Al-Dhuayan, Ahood A. Al-Eidan, Hind A. S. Alzahrani, Nouf K. ALaqeel, Fatmah Hazza Alsharif, Abeer Al Tuwaijri

Subjects: Get full text