Elucidating the Mechanism of Action of Umami-Enhancing Peptides Derived from Chicken Based on Molecular Simulation by ZHANG Jingcheng, HE Wei, LIANG Li, ZHANG Yuyu

Subjects: “…umami-enhancing peptide; molecular docking; molecular dynamics; frontier molecular orbital…”
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Polyurethane-modified asphalt mechanism by Pengzhen Lu, Changjun He, Jiahao Wang, Ying Wu, Jiarui Ding

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Molecular Dynamics Simulation on the Mechanism of Shale Oil Displacement by Carbon Dioxide in Inorganic Nanopores by Chengshan Li, Hongbo Xue, Liping Rao, Fang Yuan, Zhongyi Xu, Tongtong He, Chengwei Ji, Zhengbin Wu, Jiacheng Yan

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Structural Analysis of Amylin and Amyloid β Peptide Signaling in Alzheimer’s Disease by Longsheng Xie, Christopher Lockhart, Steven R. Bowers, Dmitri K. Klimov, Mohsin Saleet Jafri

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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

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A perspective on the time‐dependent structure and properties of amorphous polymer by Thomas Juska

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Discovery of novel PRMT1 inhibitors: a combined approach using AI classification model and traditional virtual screening by Jungan Zhang, Yixin Ren, Yixin Ren, Yun Teng, Han Wu, Jingsu Xue, Lulu Chen, Xiaoyue Song, Yan Li, Ying Zhou, Zongran Pang, Zongran Pang, Hao Wang, Hao Wang, Hao Wang

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Investigating the effect of electric field amplitude on the thermal behavior of paraffin/Cu nanostructure in a tube containing non-connected rotating ribs using molecular dynamics... by Ahmed Shawqi Sadeq, Rassol Hamed Rasheed, Shaima Albazzaz, Mohammad N. Fares, Soheil Salahshour, Rozbeh Sabetvand

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

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Modulation of the high concentration viscosity of IgG1 antibodies using clinically validated Fc mutations by Joel Heisler, Daniel Kovner, Saeed Izadi, Jonathan Zarzar, Paul J. Carter

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Molecular Dynamics-Based Two-Dimensional Simulation of Powder Bed Additive Manufacturing Process for Unimodal and Bimodal Systems by Yeasir Mohammad Akib, Ehsan Marzbanrad, Farid Ahmed

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The Effect of Geometrical Shape of Surface Texture on the Rheology and Tribology of Confined Lubricants by Fankai Peng, Ahmad Jabbarzadeh

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NMR and MD Simulations of Non-Ionic Surfactants by Gerd Buntkowsky, Markus Hoffmann

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Elucidating the potential of EGFR mutated NSCLC and identifying its multitargeted inhibitors by Anakha D. Rajeeve, Ramasamy Yamuna, P. K. Krishnan Namboori

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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

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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

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Unbiased picture of the ligand docking process for the hevein protein–oligosaccharide complex by Toshifumi Yui, Takuya Uto

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Mechanisms of L-citrulline on phosphodiesterase 5 in erectile dysfunction intervention by Abdulhakeem Olarewaju Sulyman, Olawale Moshood Aliyu, Emmanuel Oladipo Ajani, Yusuf Folohunsho Abdulkareem, Isaac Ade Afe, Fathia Oluwakemi Abdulyakeen, Halimat Yusuf Lukman, Saheed Sabiu, Karishma Singh, Kuben Naidoo

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Microstructural evolution of FeCoNiCrMn high-entropy alloy subjected to laser shock peening: Molecular dynamics simulation study by Weizhou Xu, Yongxiang Geng, Haizhong Zheng, Yixin Xiao

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

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