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Journal Articles

Boron nitride nanocage for anticancer drug delivery: A theoretical study

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Bahadır Salmankurt, Mehmet Yıldız, Metin Yıldız
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3308, 020003 (2025)
https://doi.org/10.1063/5.0271622
Published: May 2025
View articletitled, Boron nitride nanocage for anticancer drug delivery: A theoretical study
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Journal Articles

Exploring the integration of AR/VR technologies in omic sciences: A new dimension in education and research

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Selvalingeshwaran Ravi, Jotheeswaran Murali, Lokesh Suresh, Ajay Mohan, Vivek Chidambaram
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3175, 020040 (2025)
https://doi.org/10.1063/5.0259489
Published: March 2025
View articletitled, Exploring the integration of AR/VR technologies in omic sciences: A new dimension in education and research
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Journal Articles

Molecular dynamics simulation of liquid neon flow in a nanochanel

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Tatiana Kartvelishvili, Mikhail Yumashev
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3205, 030001 (2025)
https://doi.org/10.1063/5.0253210
Published: February 2025
View articletitled, Molecular dynamics simulation of liquid neon flow in a nanochanel
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Journal Articles

Thermodynamics and crystal structure analysis on melting of copper nanoparticle: A molecular dynamics study

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Riser Fahdiran, Anggara Budi Susila, Iwan Sugihartono, Erfan Handoko, Esmar Budi, Setia Budi
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3197, 020004 (2025)
https://doi.org/10.1063/5.0240494
Published: February 2025
View articletitled, Thermodynamics and crystal structure analysis on melting of copper nanoparticle: A molecular dynamics study
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Journal Articles

Small-angle and wide-angle scattering analysis on melting of gold nanoparticle: Effect of particle size

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Riser Fahdiran, Anggara Budi Susila, Iwan Sugihartono, Erfan Handoko, Esmar Budi, Setia Budi
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3197, 020012 (2025)
https://doi.org/10.1063/5.0240496
Published: February 2025
View articletitled, Small-angle and wide-angle scattering analysis on melting of gold nanoparticle: Effect of particle size
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Journal Articles

Anti-Inflammatory potential of cat’s whiskers leaf (Orthosiphon stamineus) through inhibition of NF-kB and INOS proteins: in silico study

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Rizqi Zidni Hidayati, Masruri Masruri, Widodo Widodo
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3186, 020029 (2025)
https://doi.org/10.1063/5.0249598
Published: January 2025
View articletitled, Anti-Inflammatory potential of cat’s whiskers leaf (Orthosiphon stamineus) through inhibition of NF-kB and INOS proteins: in silico study
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Journal Articles

The effect of protein binding on conformational stability and order of DNA duplex with Hoogsteen base pairing

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Kanika Kole, Aayatti Mallick Gupta, Jaydeb Chakrabarti
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3198, 020005 (2025)
https://doi.org/10.1063/5.0248431
Published: January 2025
View articletitled, The effect of protein binding on conformational stability and order of DNA duplex with Hoogsteen base pairing
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Journal Articles

Effect of minority composition in a binary glass forming liquid

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Sandeep Kushawah, Shubhanjali Pathak, Prasanth P. Jose
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3198, 020050 (2025)
https://doi.org/10.1063/5.0248436
Published: January 2025
View articletitled, Effect of minority composition in a binary glass forming liquid
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Journal Articles

Analysis of superoxide dismutase reaction mechanism of lysozyme containing amino acid Schiff base copper(II) complexes using molecular dynamics calculations

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Ryotaro Miyazaki, Daisuke Nakane, Takashiro Akitsu
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3269, 020008 (2025)
https://doi.org/10.1063/5.0247360
Published: January 2025
View articletitled, Analysis of superoxide dismutase reaction mechanism of lysozyme containing amino acid Schiff base copper(II) complexes using molecular dynamics calculations
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Journal Articles

Investigation of mechanical behavior of Ag/Cu bilayer using nanoindentation test

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Rachid Herbazi, Hassane Mes-adi, Meryem Taoufiki, Amine El Harfouf, Khalid Amechnoue, Adil Chahboun
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3241, 020013 (2024)
https://doi.org/10.1063/5.0247336
Published: December 2024
View articletitled, Investigation of mechanical behavior of Ag/Cu bilayer using nanoindentation test
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Journal Articles

Pressure-induced transformation of Nb2O5 under shock compression from first principles

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Philippe F. Weck, Nathan W. Moore
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3066, 510006 (2024)
https://doi.org/10.1063/12.0032366
Published: December 2024
View articletitled, Pressure-induced transformation of Nb2O5 under shock compression from first principles
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Journal Articles

Multiscale interface delamination and fracture of oriented HMX/HTPB interfaces using steered molecular dynamics simulations

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Santanu Chaudhuri, Marisol Koslowski, Janki Brahmbhatt
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3066, 490002 (2024)
https://doi.org/10.1063/12.0028669
Published: December 2024
View articletitled, Multiscale interface delamination and fracture of oriented HMX/HTPB interfaces using steered molecular dynamics simulations
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Journal Articles

Studying the pressure scaling of flow stress in Ta using molecular dynamics simulations

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D. McGonegle, D. Peake, C. Sandiford, J. Turner
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3066, 510004 (2024)
https://doi.org/10.1063/12.0028665
Published: December 2024
View articletitled, Studying the pressure scaling of flow stress in Ta using molecular dynamics simulations
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Journal Articles

An Arrhenius-Wescott-Stewart-Davis (AWSD) reactive flow model of nitromethane

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Tariq D. Aslam, Dana M. Dattelbaum, Jeffery A. Leiding, Marc J. Cawkwell, Christopher Ticknor, Stephen A. Sheffield, Lloyd L. Gibson
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3066, 480001 (2024)
https://doi.org/10.1063/12.0028749
Published: December 2024
View articletitled, An Arrhenius-Wescott-Stewart-Davis (AWSD) reactive flow model of nitromethane
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Journal Articles

Temperature and density dependent pair potential for deuterium under shock

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Justin X. D’Souza, Simran Chowdhry, S. X. Hu, Valeri Goncharov, Grigory Kagan, Shuai Zhang
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3066, 510002 (2024)
https://doi.org/10.1063/12.0028588
Published: December 2024
View articletitled, Temperature and density dependent pair potential for deuterium under shock
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Journal Articles

Towards statistical representation of dynamic porosity-based ductile damage

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Noah J. Schmelzer, Evan J. Lieberman, Curt A. Bronkhorst, Nan Chen, Veronica Anghel, George T. Gray, III
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3066, 610008 (2024)
https://doi.org/10.1063/12.0032382
Published: December 2024
View articletitled, Towards statistical representation of dynamic porosity-based ductile damage
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Journal Articles

Ultrafast reaction dynamics of nitro-organic molecular cations

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Jacob Shusterman, Erica Lotspeich-Britt, Hugo López Peña, Katharine Moore Tibbetts
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3066, 480015 (2024)
https://doi.org/10.1063/12.0028666
Published: December 2024
View articletitled, Ultrafast reaction dynamics of nitro-organic molecular cations
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Journal Articles

Analyzing structural debilitation of TTR mutants I149T, L238P and R284G in comparison to native conformations using in-silico approach

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D. Daisy Sardonyx, Anbarasu
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3193, 020072 (2024)
https://doi.org/10.1063/5.0233009
Published: November 2024
View articletitled, Analyzing structural debilitation of TTR mutants I149T, L238P and R284G in comparison to native conformations using in-silico approach
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Journal Articles

In-silico analysis on human FTO and mutant S319F with various ligands for poly malformation syndrome

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Priyanka, K. Anbarasu
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3193, 020075 (2024)
https://doi.org/10.1063/5.0233015
Published: November 2024
View articletitled, In-silico analysis on human FTO and mutant S319F with various ligands for poly malformation syndrome
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Journal Articles

Targeting tetraspanin 12 mutant T49M with different ligand libraries using an in-silico approach to identify the novel small molecule for exudative vitreoretinopathy (EVR5)

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Thanmai Reddy, Arun John
Journal: AIP Conference Proceedings
AIP Conf. Proc. 3193, 020083 (2024)
https://doi.org/10.1063/5.0233041
Published: November 2024
View articletitled, Targeting tetraspanin 12 mutant T49M with different ligand libraries using an in-silico approach to identify the novel small molecule for exudative vitreoretinopathy (EVR5)
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