Using graph neural network and symbolic regression to model disordered systems by Ruoxia Chen, Mathieu Bauchy, Wei Wang, Yizhou Sun, Xiaojie Tao, Jaime Marian

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Development of a novel multiepitope vaccine against Menangle virus (MenV) using in-silico approaches by targeting its transmembrane proteins by Muhammad Naveed, Adeeba Ali, Tariq Aziz, Noor Fatima, Sonia Amjad, Furrmein Fatima, Ayaz Ali Khan, Metab Alharbi, Thamer H. Albekairi, Abdullah F. Alasmari

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Condensation and thermophysical properties of ethylene glycol + water using molecular dynamic simulations by Misbah Khan, Muhammad Asif Shakoori, Syed Ali Raza

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Nanoscale thermal transport at metal-semiconductor interfaces: size-dependent exponential scaling by M Zeeshan Siddique, Jaber Al Hossain, BoHung Kim

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Characterizations and molecular dynamic simulations of broad biologically active arylidene and Quinoxaline cellulose derivatives by Mohamed S. Hasanin, Ahmed A. El-Rashedy, Ahmed K. El-Ziaty, Eslam M. Abbass, Samir Kamel

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Unraveling the Specific Recognition Between PD-L1 and Engineered CLP002 Functionalized Gold Nanostructures: MD Simulation Studies by Micaela Giannetti, Marina Gobbo, Lucio Litti, Isabella Caligiuri, Flavio Rizzolio, Moreno Meneghetti, Claudia Mazzuca, Antonio Palleschi

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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

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Revealing the multi-target compounds of Sarcandra glabra identification and inhibition of novel target genes for the treatment of pancreatic cancer by Xing Liu, Jianghong Ou

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Exploring purine analogues as inhibitors against Katanin, a microtubule severing enzyme using molecular modeling approach by Vibhuti Saxena, Pruthanka Patil, Purva Khodke, Bajarang Vasant Kumbhar

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Efficient synthesis of N-(ethylcarbamothioyl)-1-naphthamide: X-ray structure, Hirshfeld surface analysis, DFTs, and molecular modelling investigations as selective inhibitor of alk... by Pervaiz Ali Channar, Mohammad Y. Alshahrani, Aamer Saeed, Syeda Abida Ejaz, Hafiz Muhammad Attaullah, Sajid Ali Channar, Sher Qadir, Qamar Abbas, Ulrich Flörke, Tuncer Hökelek

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In Silico Identification of 2,4-Diaminopyrimidine-Based Compounds as Potential CK1ε Inhibitors by Axel A. Sánchez-Álvarez, Marco A. Velasco-Velázquez, Luis Cordova-Bahena

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A Microsimulation-Based Methodology for Evaluating Efficiency and Safety in Roundabout Corridors: Case Studies of Pisa (Italy) and Avignon (France) by Lorenzo Brocchini, Antonio Pratelli, Didier Josselin, Massimo Losa

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Modeling and performance analysis of a pneumatic steering system to enhance maneuverability in T-55 Armored Vehicles by Lemma Nigussie, Kumlachew Yeneneh

Subjects: “…Dynamic simulations…”
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Contribution of Suspension Bogies’ Aerodynamic Loads to the Dynamic Characteristics of a High-temperature Superconducting Maglev Train Running under Crosswind by Z. P. Li, X. F. Wang, Y. M. Pan, Y. Ding, P. F. Liu, Z. G. Deng

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Integrative bioinformatics analysis to decipher common pathogenic processes in type 2 diabetes mellitus and pancreatic cancer by Faez Falah Alshehri

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C-71980262, A novel small molecule against human papilloma virus-16 E6 (HPV-16 E6) with anticancer potency against cervical cancer: A computational guided in vitro approach by Ashish Kumar

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MATHEMATICAL MODEL OF ROTATIONAL DYNAMICS OF WIND TURBINE AND SMALL AEROGENERATOR TURN FOR FARMS USING AUTOMATIC ORIENTATION SYSTEM by Andrey S. Gurinov, Vladimir L. Gaponov

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Anti-Butterfly Effect in Ribavirin Studied by Combined Experiment (PXRD/¹H-¹⁴N NQR Cross-Relaxation Spectroscopy), Quantum Chemical Calculations, Molecular Do... by Jolanta Natalia Latosińska, Magdalena Latosińska, Janez Seliger, Veselko Žagar, Tomaž Apih

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Transient Interdomain Interactions Modulate the Monomeric Structural Ensemble and Self‐Assembly of Huntingtin Exon 1 by Priyesh Mohanty, Tien Minh Phan, Jeetain Mittal

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Proper molecular level tool to explore the structure-property relationships in elastomer nanocomposites by L. Q. Zhang, J. Liu

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