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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Mechanisms of breast cancer treatment using Gentiana robusta: evidence from comprehensive bioinformatics investigation by Bo Xiong, Xinxin Zhang, Dongzhi Sangji, Lianghong Ni, Mingjie Fan, Beibei Fan

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Deciphering olfactory receptor binding mechanisms: a structural and dynamic perspective on olfactory receptors by Jingtao Wang, Jingtao Wang, Qidong Zhang, Wu Fan, Qingzhao Shi, Jian Mao, Jianping Xie, Guobi Chai, Guobi Chai, Chenglei Zhang

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Exploring the NANOG-TET2 interaction interface. Effects of a selected mutation and hypothesis on the clinical correlation with anemias by Claudia Testi, Roberta Piacentini, Roberta Piacentini, Alessandro Perrone, Chiara Bartoli, Daniele Leso, Domitilla Pavia, Elisa Pistolesi, Flavio Scipione, Irene Cotronea, Marco Adinolfi Falcone, Marco Ierani, Alberto Boffi, Lorenzo Di Rienzo

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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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Antibacterial efficacy and antibiotic sensitivity augmentation potential of selected traditional medicinal plant extracts against Vibrio cholerae O1 E1 Tor Ogawa by Pruthviraj Chavan, Kamakshi Naik, Soumika Ghosal, Rajitha Charla, Rajalakshmi Patil, Jyoti N. Guruputranavar, Vishal S. Patil, Darasaguppe R. Harish, Subarna Roy

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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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Exploring the antifungal potential of Cannabis sativa-derived stilbenoids and cannabinoids against novel targets through in silico protein interaction profiling by Kevser Kübra Kırboğa, Aman Karim, Ecir Uğur Küçüksille, Mithun Rudrapal, Johra Khan, Raghu Ram Achar, Ekaterina Silina, Natalia Manturova, Victor Stupin

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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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Network Pharmacology, Molecular Docking, and Molecular Dynamics Analysis of Honokiol against Triple-negative Breast Cancer by Hassan H. Alhassan

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STRUCTURAL AND DYNAMIC PROPERTIES OF MUTANTS OF THE SOD1 PROTEIN ASSOCIATED WITH AMYOTROPHIC LATERAL SCLEROSIS by N. A. Alemasov, N. V. Ivanisenko, V. A. Ivanisenko

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Designing cellulose based biochars for CO2 separation using molecular simulations by Behnoush Barzegar, Farzaneh Feyzi

Subjects: “…Reactive force field molecular dynamics…”
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Structural and in silico studies of 2-pyridyl-decorated 2-amino-1,3,5-triazine with a potency against SARS-CoV-2 proteins by Safin, Damir A.

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A novel TGFBR2 mutation causes Loeys-Dietz syndrome in a Chinese infant: A case report by Xin Liu, Kaiqing Liu, Lifu Hu, Zixiao Liu, Xinhua Liu, Jiantao Wang

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