Adsorption of n-Alkanes in Faujasite Zeolites: Molecular Simulation Study and Experimental Measurements by Aurélie Wender, Alain Barreau, Catherine Lefebvre, Angela Di Lella, Anne Boutin, Philippe Ungerer, Alain H. Fuchs

“…A first-order polarization term is explicitly considered for this purpose, using standard molecular polarizabilities. Polarization appears to amount to 30–40% of the zeolite-alkane interaction energy as a consequence of the strong electric field created by the sodium cation distribution and the negatively charged framework. …”
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Current status and future prospects of molecular imaging in targeting the tumor immune microenvironment by Xiang Wang, Xiang Wang, Weifen Shen, Weifen Shen, Lingjun Yao, Lingjun Yao, Chao Li, Chao Li, Huiming You, Huiming You, Duancheng Guo, Duancheng Guo

Subjects: “…molecular imaging…”
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Evaluation of VP4-VP2 sequencing for molecular typing of human enteroviruses. by Kouichi Kitamura, Minetaro Arita

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Molecular study and analysis of organic compounds for high-performance solar cell applications by El Mhamedi Imane, El Malki Zakaria

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The Effects of Polyphenols on Texture and Flavor of Egg Yolk: A Molecular Docking Study by Tingting Tang, Ruyi Zhang, Cuihua Chang, Junhua Li, Luping Gu, Yanjun Yang, Yujie Su

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A molecular basis for spine color morphs in the sea urchin Lytechinus variegatus by Maria Wise, Madison Silvia, Gerardo Reyes, Rushane Dunn, Thomas M. Onorato, Cosmo Pieplow, Aidan Furze, El Hebert, Nathalie Oulhen, Dan Ritschoff, David R. McClay, Gary Wessel

“…Here we integrate an analysis of genetic, structural and molecular properties of spines from the variegated sea urchin, Lytechinus variegatus. …”
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When molecular biology transforms clinical oncology: the EGFR journey in colorectal cancer by Pietro Paolo Vitiello, Nadia Saoudi González, Alberto Bardelli

“…Molecular Oncology…”
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USE OF MOLECULAR MARKERS IN WHEAT BREEDING AT THE KRASNODAR LUKYANENKO RESEARCH INSTITUTE OF AGRICULTURE by L. A. Bespalova, A. V. Vasilyev, I. B. Ablova, V. A. Filobok, Zh. N. Khudokormova, R. O. Davoyan, E. R. Davoyan, G. I. Karlov, A. A. Soloviev, M. G. Divashuk, N. K. Mayer, M. V. Dudnikov, N. V. Mironenko, O. A. Baranova

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UHPLC-QTOF-MS/MS profiling, molecular networking, and molecular docking analysis of Gliricidia sepium (Jacq.)... by Aya A. Wafaey, Seham S. El-Hawary, Osama G. Mohamed, Sahar S. Abdelrahman, Alaa M. Ali, Ahmed A. El-Rashedy, Mohamed F. Abdelhameed, Farid N. Kirollos

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Structural bioinformatics for rational drug design by Soroush Mozaffari, Agnethe Moen, Che Yee Ng, Gerry A.F. Nicolaes, Kanin Wichapong

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Structural tailoring of etoricoxib: A spectrochemical, medicinal and pharmacological study by Bakul Akter, Silvia Aishee, Abdullah Hridoy, Md. Mehedi Hasan Pulok, Mohammad Ariful Islam, Antu Biswas, Aurna Patwary, Majedul Hoque, MD. Sazidul Islam, Md. Nipatul Hasan Nirob, Faisal Islam Chowdhury, Monir Uzzaman

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Identification of Two Flavonoids as New and Safe Inhibitors of Kynurenine Aminotransferase II via Computational and In Vitro Study by Redouane Rebai, Luc Jasmin, Abdennacer Boudah

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Alternative splicing of EZH2 regulated by SNRPB mediates hepatocellular carcinoma progression via BMP2 signaling pathway by Xingyu Wang, Weiyi Liu, Chunai Zhan, Yuanyuan Zhang, Xinyu Li, Yaoyun Wang, Mengfei Sheng, Madiha Maqsood, Hang Shen, Anmin Liang, Wei Shao

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Improving the binding affinity of plastic degrading cutinase with polyethylene terephthalate (PET) and polyurethane (PU); an in-silico study by Deves Sabari V L, Gokulnath Rajmohan, Roshine S B, Srivaishnavi S, Kishore Nagasubramanian, Senthil Kumar G, Ponnusami Venkatachalam

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In vitro assays identified thiohydantoins with anti-trypanosomatid activity and molecular modelling studies indicated possible selective CYP51 inhibition by Priscila Goes Camargo, Helena Tiemi Suzukawa, Patrícia Morais Lopes Pereira, Mariana Luiza Silva, Fernando Macedo Jr, Magaly Girão Albuquerque, Carlos Rangel Rodrigues, Sueli Fumie Yamada-Ogatta, Camilo Henrique da Silva Lima, Marcelle de Lima Ferreira Bispo

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Identification of natural phytochemicals as AKT2 inhibitors using molecular docking and dynamics simulations as potential cancer therapeutics by Jibon Kumar Paul, Mahir Azmal, Md Naimul Haque Shohan, Mohua Mrinmoy, ANM Shah Newaz Been Haque, Omar Faruk Talukder, Ajit Ghosh

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Molecular testing stratifies the risk of structural recurrence in high risk differentiated thyroid cancer: a retrospective cohort study by Jie Liu, Wensi Gao, Xiong Zheng, Shuping Wu, Yi Shi, Feng Wang, Yu Wu

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Rectification properties of gold–alkanedithiol–graphene hybrid junctions: Enhancing performance through molecular engineering by Mohammad Norouzi, Ehsan Rahimi

Subjects: “…Molecular rectifiers…”
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Structural, CSD, Molecular Docking, Molecular Dynamics, and Hirshfeld Surface Analysis of a New Mesogen, Methyl-4-(5-(4-(octyloxy)phenyl)-1,2,4-oxadiazol-3-yl)benzoate by Pooja Mohandas, Abdul Ajees Abdul Salam, Thripthi Nagesh Shenoy, Srinivasulu Maddasani, Santanu Kumar Pal, Channabasaveshwar V. Yelamaggad

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Structural basis of CXCR4 assembly and regulation by Aijun Liu, Yezhou Liu, Richard D. Ye

Subjects: “…CP: Molecular biology…”
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