نتائج البحث

Study on the Influence of Reservoir Wettability on Shale oil Flow Characteristics by Molecular Dynamics Simulation.

• Authors : Deng, Xingliang¹ (AUTHOR); Li, Shiyin¹ (AUTHOR); Guan, Baozhu¹ (AUTHOR)

Subjects: *SHALE oils; *PHYSICAL & theoretical chemistry; *MOLECULAR dynamics

• Source: Arabian Journal for Science & Engineering (Springer Science & Business Media B.V. ). Apr2025, Vol. 50 Issue 7, p4643-4660. 18p.

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High-throughput inhibitor screening and molecular dynamics simulation studies against Human JAK2.

• Authors : Zahed, Rawabi^1,2 ; Abuzenadah, Adel M.^2,3; Shakil, Shazi^3,4,5

Subjects: *MOLECULAR dynamics; *HIGH throughput screening (Drug development); *AMINO acid residues

• Source: Tropical Journal of Pharmaceutical Research. May2025, Vol. 24 Issue 5, p599-605. 7p.

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石墨烯纳米孔道内受限水介 电常数影响因素的分子动力学模拟.

• Authors : 李浩宇¹ ; 蒋更平² ; 吴开明^1,2

• Source: Journal of Atomic & Molecular Physics (1000-0364). 2025, Vol. 42 Issue 2, p1-8. 8p.

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Network pharmacology and molecular dynamics simulation reveal antineoplastic potential of Antarctic sponge-derived suberitenones.

• Authors : Bhowmik, Prasenjit¹ (AUTHOR); Mallick, Rahul² (AUTHOR); Duttaroy, Asim K.³ (AUTHOR)

Subjects: *MARINE natural products; *MOLECULAR dynamics; *MOLECULAR docking

• Source: Frontiers in Chemistry. 2025, p1-24. 24p.

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Mechanism of Strain-Resistance Response of CNT/Polymer Composite Materials for Pavement Strain Self-Sensing Based on the Molecular Dynamics Simulation Method.

• Authors : Xin, Xue^1,2 (AUTHOR) ; Zhao, Xingchi² (AUTHOR); Gao, Jing^1,2 (AUTHOR)

Subjects: *NANOCOMPOSITE materials; *MOLECULAR dynamics; *EPOXY resins

• Source: Polymers (20734360). Jun2025, Vol. 17 Issue 11, p1427. 24p.

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Alendronate repositioning as potential anti-parasitic agent targeting Trichinella spiralis inorganic pyrophosphatase, in vitro supported molecular docking and molecular dynamics simulation study.

• Authors : Hanafy, Marmar A.¹ (AUTHOR); Nassar, Doaa A.¹ (AUTHOR); Zahran, Fatima M.¹ (AUTHOR)

Subjects: *TRICHINELLA spiralis; *MOLECULAR dynamics; *MOLECULAR docking

• Source: BMC Chemistry. 5/6/2025, Vol. 19 Issue 1, p1-25. 25p.

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Tribological study of amorphous polyethylene under different rough surfaces of chromium based on molecular dynamics simulation.

• Authors : Yuan, Yang^1,2 (AUTHOR); Zhang, Youqiang^1,2 (AUTHOR); Li, Weijie^1,2 (AUTHOR)

• Source: Scientific Reports. 6/2/2025, Vol. 15 Issue 1, p1-16. 16p.

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含孔洞 CoCrNiFeCu 高熵合金纳米压入的分子动力学模拟.

• Authors : 史银花¹ ; 施琴¹

• Source: Journal of Atomic & Molecular Physics (1000-0364). Jun2025, Vol. 42 Issue 3, p1-8. 8p.

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热塑性纤维素与 PVA 混溶性的分子动力学模拟.

• Authors : 冯彦洪¹ ; 陈帅杰¹; 孙航¹

• Source: Journal of Atomic & Molecular Physics (1000-0364). Jun2025, Vol. 42 Issue 3, p1-10. 10p.

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Stability Analysis of Polymer Flooding-Produced Liquid in Oilfields Based on Molecular Dynamics Simulation.

• Authors : Huang, Qian¹ (AUTHOR); Shen, Mingming^1,2 (AUTHOR); Mu, Lingyan^2,3 (AUTHOR)

Subjects: *RADIAL distribution function; *INTERFACIAL tension; *POLYMER flooding (Petroleum engineering)

• Source: Materials (1996-1944). May2025, Vol. 18 Issue 10, p2349. 21p.

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