نتائج البحث

Screening of SIRT2 inhibitors from natural product databases using computer-aided drug design and molecular dynamics simulation

• Authors : Liu, Tianyi; Yin, Hongli; Dong, Xue

Subjects: SIRT2; Neuroblastoma; Computer-aided drug design

• Source: Brazilian Journal of Pharmaceutical Sciences; Vol. 61 (2025) ; Brazilian Journal of Pharmaceutical Sciences; v. 61 (2025) ; 2175-9790 ; 1984-8250

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Growth kinetics of sintering neck and particle rotation mechanism of silver nanoparticles by molecular dynamics simulation and in-situ TEM observation

• Authors : Peng Wu; Jiayun Feng; Yiping Wang

Subjects: Ag nanoparticles; Molecular dynamics simulation; Sintering

• Source: Journal of Materials Research and Technology, Vol 35, Iss , Pp 2253-2262 (2025)

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Screening of SIRT2 inhibitors from natural product databases using computer-aided drug design and molecular dynamics simulation

• Authors : Tianyi Liu; Hongli Yin; Xue Dong

Subjects: SIRT2; Neuroblastoma; Computer-aided drug design

• Source: Brazilian Journal of Pharmaceutical Sciences, Vol 61 (2025)

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Influence of Vacuum Precooling Pressure on SOD Enzyme Activity of Fresh Lycium barbarum and Molecular Dynamics Simulation

• Authors : Hongbo ZHANG; Ningbo KANG; Lianghuan ZHOU

Subjects: lycium barbarum l; vacuum precooling; superoxide dismutase

• Source: Shipin gongye ke-ji, Vol 46, Iss 1, Pp 54-60 (2025)

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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 simulation

• Authors : Ahmed Shawqi Sadeq; Rassol Hamed Rasheed; Shaima Albazzaz

Subjects: External electric field; Molecular dynamics simulation; Phase change material

• Source: Case Studies in Chemical and Environmental Engineering, Vol 11, Iss , Pp 101115- (2025)

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Data of the publication: Determination of Aqueous Solubility of NaCl in Molecular Dynamics Simulation using the Kirkwood-Buff Method ...

• Authors : Chattopadhyay, Abhishek; Mandalaparthy, Varun; van der Vegt, Nico

Subjects: Molecular Dynamics Simulation, Solubility, Kirkwood-Buff Theory, Ion Paring; Force Field; 3.13-01 Physikalische Chemie von Molekülen, Flüssigkeiten und Grenzflächen, Biophysikalische Chemie540

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Effect of grain size on nanometric cutting of polycrystalline silicon via molecular dynamics simulation

• Authors : Guo, W; Yu, Q; Wang, G ...

Subjects: Molecular dynamics simulation; Nanometric cutting; Polycrystalline silicon

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Investigation of Self-Diffusion Coefficient, Bond Angle, and the Ratio of Bridging Oxygen to Non-Bridging Oxygens of 50P2O5–50CaO Calcium Phosphate Bioactive Glass: A Molecular Dynamics Simulation Study ...

• Authors : Moghanian, Amirhossein

Subjects: 50P2O5–50CaO calcium phosphate bioactive glass; Molecular dynamics simulation; Bridging and non-bridging oxygen

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Molecular Dynamics Simulation Study on the Influence of Twin Spacing and Temperature on the Deformation Behavior of Nanotwinned AgPd Alloy

• Authors : Wanxuan Zhang; Kangkang Zhao; Shuang Shan

Subjects: nanotwinned AgPd alloy; molecular dynamics simulation; twin spacing

• Source: Nanomaterials, Vol 15, Iss 5, p 323 (2025)

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The stability of the SARS-COV-2 structure in the presence of variable external heat flux in the vicinity of the water/silver nanofluid: A molecular dynamics simulation

• Authors : Dongfang Wu; Ali B.M. Ali; Abrar A. Mohammed

Subjects: SARS-COV-2; Silver nanoparticles; Water molecules

• Source: Case Studies in Thermal Engineering, Vol 69, Iss , Pp 105994- (2025)

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