المؤلفون: Eom, Namsoon, Johansson, Jonas, Deppert, Knut

المصدر: Journal of Physical Chemistry C NanoLund: Centre for Nanoscience. 128(42):17971-17983

مصطلحات موضوعية: nanowire, Si nanowire, VLS growth, VLS mechanism, molecular dynamics (MD), Naturvetenskap, Kemi, Fysikalisk kemi, Natural Sciences, Chemical Sciences, Physical Chemistry

URL الوصول: https://lup.lub.lu.se/record/bed79ba7-f5bc-4da4-a6f9-88cf3c06bc5d
http://dx.doi.org/10.1021/acs.jpcc.4c04584

المؤلفون: Desai, P.S., Vashi, R.T.

المصدر: Anti-Corrosion Methods and Materials, 2024, Vol. 72, Issue 1, pp. 107-120.

URL الوصول: http://www.emeraldinsight.com/doi/10.1108/ACMM-09-2024-3100

المؤلفون: Caixia Tan, Yuanyuan xiao, Ting Liu, Siyao Chen, Juan Zhou, Sisi Zhang, Yiran Hu, Anhua Wu, Chunhui Li

المصدر: Synthetic and Systems Biotechnology, Vol 9, Iss 4, Pp 667-683 (2024)

مصطلحات موضوعية: Clotridioides difficile (C. difficile), mRNA vaccine, Immunoinformatics, Reverse vaccinology (RV), Molecular docking, Molecular dynamics (MD) simulation, Biotechnology, TP248.13-248.65, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2405805X24000838; https://doaj.org/toc/2405-805X

URL الوصول: https://doaj.org/article/ede1e7e75c9c4974a80471ddddb1b104

المؤلفون: Feltrin, Ana Carolina, Hedman, Daniel, 1989, Akhtar, Farid

المصدر: Journal of Advanced Ceramics. 13(8):1268-1281

مصطلحات موضوعية: entropy-stabilized diborides, ultrahigh temperature ceramics, molecular dynamics (MD) simulations, density functional theory (DFT), ablation properties, Engineering Materials, Materialteknik

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:ltu:diva-104545
https://doi.org/10.26599/JAC.2024.9220935
https://ltu.diva-portal.org/smash/get/diva2:1844076/FULLTEXT01.pdf

المؤلفون: Walther, Frans, Waring, Alan

المصدر: Biomedicines. 12(1)

مصطلحات موضوعية: AI modeling, Fourier Transform Infrared (FTIR) spectroscopy, captive bubble surfactometry (CBS), circular dichroism (CD), electron spin resonance (ESR), molecular dynamics (MD), surfactant protein B (SP-B), surfactant protein C (SP-C), surfactant protein peptide mimics, synthetic lung surfactant

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/3v10f1k3
https://escholarship.org/content/qt3v10f1k3/qt3v10f1k3.pdf

المؤلفون: Chávez Thielemann, Hernán, van Dommelen, J.A.W. (Hans), Govaert, Leon E., Hütter, Markus

المصدر: Chávez Thielemann , H , van Dommelen , J A W , Govaert , L E & Hütter , M 2025 , ' Molecular dynamics analysis of iPP-polymorphs : Investigating thermal expansion and elastic properties ' , Polymer , vol. 316 , 127853 . https://doi.org/10.1016/j.polymer.2024.127853

مصطلحات موضوعية: polypropylene, iPP polymorphs, Alpha phase, Beta modification, Crystal lattice, Molecular dynamics (MD), Stiffness matrix, Molecular dynamics

وصف الملف: application/pdf

الاتاحة: https://research.tue.nl/en/publications/621c2287-b622-4da3-959a-75e27ecfad0b
https://doi.org/10.1016/j.polymer.2024.127853
https://pure.tue.nl/ws/files/345805093/p91-accepted-author-manuscript.pdf
https://pure.tue.nl/ws/files/345805095/000_reprint91.pdf
http://www.scopus.com/inward/record.url?scp=85210384578&partnerID=8YFLogxK

المؤلفون: Reza Salahlou, Safar Farajnia, Effat Alizadeh, Siavoush Dastmalchi, Nasrin Bargahi, Leila Rahbarnia, Safooreh Hoseinpour Steyar

المصدر: Heliyon, Vol 10, Iss 24, Pp e40774- (2024)

مصطلحات موضوعية: Glioblastoma cancer, Tumor-associated macrophages, CD204, Immunotherapy, Molecular docking, Molecular dynamics (MD) simulation, Science (General), Q1-390, Social sciences (General), H1-99

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2405844024168053; https://doaj.org/toc/2405-8440

URL الوصول: https://doaj.org/article/6ef21996c117471cab24c107c2bf11e9

المؤلفون: Xi Chen, Hao Yu

المصدر: ChemElectroChem, Vol 11, Iss 23, Pp n/a-n/a (2024)

مصطلحات موضوعية: Localized high-concentration electrolytes, Lithium batteries, Theoretical calculation and computational simulation, Density functional theory (DFT), Molecular dynamics (MD), Ab initio molecular dynamics (AIMD), Industrial electrochemistry, TP250-261, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2196-0216

URL الوصول: https://doaj.org/article/6f833bdd7b204da988919a057444b423

المؤلفون: Morteza Rezaeisadat, Azam Alizadeh, Elahe Shahryari

المصدر: Chemical Physics Impact, Vol 9, Iss , Pp 100755- (2024)

مصطلحات موضوعية: Alzheimer's disease (AD), POPC cell membrane, Amyloid beta (Aβ), HydroxyPropyl beta-cyclodextrin (HPBCD), Molecular dynamics (MD), MM-PBSA binding energy, Physics, QC1-999, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2667022424002998; https://doaj.org/toc/2667-0224

URL الوصول: https://doaj.org/article/7ba9fd84c9c04b28bf3d8735db1a3728

المؤلفون: Yizhong Xu, Fei Zhu, Ziyou Zhou, Shiyang Ma, Peipei Zhang, Caixia Tan, Yuying Luo, Rongliu Qin, Jie Chen, Pinhua Pan

المصدر: BMC Genomics, Vol 25, Iss 1, Pp 1-22 (2024)

مصطلحات موضوعية: Acinetobacter baumannii, Immunoinformatic, Epitope, Multi-epitope mRNA vaccine, Molecular docking, Molecular Dynamics (MD) simulation, Biotechnology, TP248.13-248.65, Genetics, QH426-470

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1471-2164

URL الوصول: https://doaj.org/article/4a900ea70c994886badf53f05b76933a

المؤلفون: Yanhui Zhang, Haifeng Yu, Yongying Jia, Zhisheng Zhao, Li-Min Wang, Riping Liu

المصدر: Journal of Advanced Ceramics, Vol 13, Iss 6, Pp 729-735 (2024)

مصطلحات موضوعية: carbon fibers (cf), molecular dynamics (md), structural order, critical cooling rate (rc), vitrification, Clay industries. Ceramics. Glass, TP785-869

وصف الملف: electronic resource

Relation: https://www.sciopen.com/article/10.26599/JAC.2024.9220891; https://doaj.org/toc/2226-4108; https://doaj.org/toc/2227-8508

URL الوصول: https://doaj.org/article/af244f8af4454cd6ba72d09b67e17cbd

المؤلفون: Abdullah R. Alanzi, Bayan Abdullah Alhaidhal, Fatimah Mohammed Alsulais

المصدر: Journal of King Saud University: Science, Vol 36, Iss 9, Pp 103372- (2024)

مصطلحات موضوعية: Protein Kinase G1 (PRKG1), Cellular Signaling Pathways, Virtual Screening, Inhibitors, Molecular Dynamics (MD) Simulation, Science (General), Q1-390

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S1018364724002842; https://doaj.org/toc/1018-3647

URL الوصول: https://doaj.org/article/a434a82542fe48c99d130e5a5944aec4

المؤلفون: Shila Kumari Singh, Minakshi Bhattacharjee, Balagopalan Unni, Rajpal Singh Kashyap, Abdul Malik, Suhail Akhtar, Sabiha Fatima

المصدر: Frontiers in Cellular and Infection Microbiology, Vol 14 (2024)

مصطلحات موضوعية: Staphylococcus aureus, clumping factor, adhesin binding protein, antimicrobial resistance (AMR), colonization, molecular docking & molecular dynamics (MD) simulation, Microbiology, QR1-502

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fcimb.2024.1422500/full; https://doaj.org/toc/2235-2988

URL الوصول: https://doaj.org/article/a57bcba6b5ac45b8ab70c5758ffaa50c

المؤلفون: Antonella Damiana Recchia, Alessandra Dominicis, Vincenzo Maria D'Amore, Tommaso Fabiano, Aland Ibrahim Ahmed Al Jaf, Simone Peria, Francesco Basoli, Alberto Rainer, Luciana Marinelli, Francesco Saverio Di Leva, Antonella Ragnini-Wilson

المصدر: Frontiers in Molecular Neuroscience, Vol 17 (2024)

مصطلحات موضوعية: remyelination, oligodendrocytes, glucocorticoids, molecular docking & molecular dynamics (MD) simulation, glia cells, hedgehog (Hh), Neurosciences. Biological psychiatry. Neuropsychiatry, RC321-571

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fnmol.2024.1473960/full; https://doaj.org/toc/1662-5099

URL الوصول: https://doaj.org/article/45fa46653945400e9c244adbeffd261c

المؤلفون: Komal G. Lakhani, Rasmeih Hamid, Sheetal Gupta, Poojaben Prajapati, Ratna Prabha, Saumya Patel, Kirankumar P. Suthar

المصدر: Frontiers in Nutrition, Vol 11 (2024)

مصطلحات موضوعية: obesity, human fat mass and obesity associated protein (FTO), little millet, molecular docking and molecular dynamics (MD) simulation, ADMET, binding free energy, Nutrition. Foods and food supply, TX341-641

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fnut.2024.1453819/full; https://doaj.org/toc/2296-861X

URL الوصول: https://doaj.org/article/2d98e57626444c8b955376fc4236da17

المؤلفون: Xingyu Chen, Kai Wang, Zumin Wang, Yuan Huang

المصدر: Journal of Materials Research and Technology, Vol 30, Iss , Pp 1380-1387 (2024)

مصطلحات موضوعية: Parallel-gap resistance welding (PGRW), Multiscale simulation method, Mo–Ag diffusion layer, Molecular dynamics (MD), Finite element method (FEM), Orthogonal experimental design, Mining engineering. Metallurgy, TN1-997

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2238785424006215; https://doaj.org/toc/2238-7854

URL الوصول: https://doaj.org/article/27c69df757c0431bb2da99fcca10bc75

المؤلفون: Yeasir Mohammad Akib, Ehsan Marzbanrad, Farid Ahmed

المصدر: Journal of Manufacturing and Materials Processing, Vol 9, Iss 1, p 9 (2025)

مصطلحات موضوعية: powder bed fusion (PBF), packing fraction, molecular dynamics (MD) simulation, LAMMPS, Production capacity. Manufacturing capacity, T58.7-58.8

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2504-4494/9/1/9; https://doaj.org/toc/2504-4494

URL الوصول: https://doaj.org/article/1dece6750bf048af9341e0a5a4f389ea

المؤلفون: Lindahl, Erik

المساهمون: Friedman, Ran, Oruganti, Baswanth, Řezáč, Jan

المصدر: Linnaeus University Dissertations.

مصطلحات موضوعية: Density Functional Theory (DFT), Molecular Dynamics (MD), Free Energy Pertubation, (FEP) Energy Decomposition Analysis (EDA), Tyrosine kinase inhibitors (TKIs), Chronic Myeloid Leukemia (CML), Acute Myeloid Leukemia (AML), Organic Chemistry, Organisk kemi

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:lnu:diva-133442
https://doi.org/10.15626/LUD.544.2024
https://lnu.diva-portal.org/smash/get/diva2:1914125/FULLTEXT01.pdf
https://lnu.diva-portal.org/smash/get/diva2:1914125/PREVIEW01.jpg

المؤلفون: Lihang Qu, Kaijian Sun, Zhouyu Jiang, Ting Wang, Linlin Chen, Chunjian Shen, Ruidong Gu

المصدر: Frontiers in Chemistry, Vol 12 (2024)

مصطلحات موضوعية: phosphodiesterase 5 (PDE5) inhibitors, selectivity, molecular dynamics (MD) simulations, quantum mechanics/molecular mechanics (QM/MM), independent gradient model (IGM) analysis, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fchem.2024.1400886/full; https://doaj.org/toc/2296-2646

URL الوصول: https://doaj.org/article/8a7c4f8b72fa40868a68c25638e19ed3

المؤلفون: Prashant Kumar Tiwari, Mandeep Chouhan, Richa Mishra, Saurabh Gupta, Anis Ahmad Chaudhary, Mohammed Al-Zharani, Ashraf Ahmed Qurtam, Fahd A. Nasr, Niraj Kumar Jha, Kumud Pant, Mukesh Kumar, Sanjay Kumar

المصدر: Frontiers in Cellular and Infection Microbiology, Vol 14 (2024)

مصطلحات موضوعية: SARS-CoV-2, furin protein, virtual screening, molecular dynamics (MD) simulation, phytochemical inhibitors, Microbiology, QR1-502

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fcimb.2024.1391288/full; https://doaj.org/toc/2235-2988

URL الوصول: https://doaj.org/article/6b514e0b5c8f46d29ba0f10f90d73f31