Phase-Field Simulations at the Atomic Scale in Comparison to Molecular Dynamics by Marco Berghoff, Michael Selzer, Britta Nestler

“…Early solidification is investigated using two different simulation techniques: the molecular dynamics (MD) and the phase-field (PF) methods. …”
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A Computational Study on Selected Alkaloids as SARS-CoV-2 Inhibitors: PASS Prediction, Molecular Docking, ADMET Analysis, DFT, and Molecular Dynamics Simulations by Md. Golam Mortuza, Md Abul Hasan Roni, Ajoy Kumer, Suvro Biswas, Md. Abu Saleh, Shirmin Islam, Samia Sadaf, Fahmida Akther

“…Molecular dynamics simulations (MDS) with a time step of up to 100 ns were used to confirm that the three docked complexes were more stable. …”
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MARVEL Analysis of the Measured High-resolution Spectra of 12C16O by Salman Mahmoud, Nayla El-Kork, Nariman Abu Elkher, Mubarak Almehairbi, Malathe Samir Khalil, Tibor Furtenbacher, Attila G. Császár, Olga P. Yurchenko, Sergey N. Yurchenko, Jonathan Tennyson

Subjects: “…Molecular spectroscopy…”
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Discovery of novel PRMT1 inhibitors: a combined approach using AI classification model and traditional virtual screening by Jungan Zhang, Yixin Ren, Yixin Ren, Yun Teng, Han Wu, Jingsu Xue, Lulu Chen, Xiaoyue Song, Yan Li, Ying Zhou, Zongran Pang, Zongran Pang, Hao Wang, Hao Wang, Hao Wang

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A Theoretical Study on the Efficacy and Mechanism of Combined YAP-1 and PARP-1 Inhibitors in the Treatment of Glioblastoma Multiforme Using Peruvian Maca <i>Lepidium meyenii</i> by Albert Gabriel Turpo-Peqqueña, Sebastian Luna-Prado, Renato Javier Valencia-Arce, Fabio Leonardo Del-Carpio-Carrazco, Badhin Gómez

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Serological, phenotypic and molecular characterization of brucellosis in small ruminants in northern Algeria by Ibrahim Nabi, Rachid Achek, Rachid Achek, Abdelkadir Karim, Falk Melzer, Hanka Brangsch, Mandy C. Elschner, Heinrich Neubauer, Hosny El-Adawy, Hosny El-Adawy

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Molecularly imprinted polymers based sensors for identification of various cancer biomarkers by Keerthana Madhivanan, Dhanraj Ganapathy, Ashok K. Sundramoorthy

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Retracted: Molecular Basis of GABA Hypofunction in Adolescent Schizophrenia-Like Animals by Neural Plasticity

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Ultrastructural and Molecular Changes in the Developing Small Intestine of the Toad Bufo regularis by S. A. Sakr, G. M. Badawy, H. T. El-Borm

“…The ontogenetic development of the small intestine of the toad Bufo regularis was investigated using twofold approaches, namely, ultrastructural and molecular. The former has been done using transmission electron microscope and utilizing the developmental stages 42, 50, 55, 60, 63, and 66. …”
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Molecular-Based Identification of Actinomycetes Species That Synthesize Antibacterial Silver Nanoparticles by Abebe Bizuye, Lashitew Gedamu, Christine Bii, Erastus Gatebe, Naomi Maina

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Molecular simulation of perfluorohexane adsorption in BAM-P109 activated carbon by Lev Sarkisov

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MOLECULAR AND GENETIC INSIGHTS OF ROOT-KNOT NEMATODES PATHOGENICITY: A REVIEW by Prabina Bhandari, Anjali Thapa, Anusha Ghimire, Sunil Ojha, Srijana Saud, Sanju Aryal

“…Plant parasitic nematode must develop molecular strategies to get around the plants defense mechanism in order to successfully enter and infect their host plants. …”
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Sex-based differences in lung cancer susceptibility and molecular genetics in the 2020s by Berta Mosleh, Pavla Sarova, Sonja Zehetmayer, Felicitas Oberndorfer, Joachim Widder, Helmut Prosch, Marco Idzko, Clemens Aigner, Mir Alireza Hoda, Daniela Gompelmann

“…Objective: The objective of the current study was to reveal timely sex-based differences in patients with lung cancer in the era of immunotherapy and molecularly targeted agents. Methods: We retrospectively analyzed a consecutive cohort of 286 patients (female:male ratio 134:152/47 %:53 %) who were diagnosed with lung cancer between 2020 and 2022 in the pulmonology department of the Medical University of Vienna, Austria. …”
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Molecular and Cellular Mechanisms of Immunosenescence: Modulation Through Interventions and Lifestyle Changes by Luca Pangrazzi, Andreas Meryk

“…By integrating recent findings from immunology, gerontology, and molecular biology, we aim to elucidate the intricate interplay between lifestyle and immune aging at the molecular level, potentially informing future strategies for maintaining immune competence in aging populations.…”
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Luteolin: exploring its therapeutic potential and molecular mechanisms in pulmonary diseases by Jialian Lv, Xinyue Song, Zixin Luo, Duoqin Huang, Li Xiao, Kang Zou

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The Adsorption and Separation of Ethylene, Oxygen and Carbon Dioxide Gases on Molecular Sieves by Li Defu, Wang Jinqu

“…The equilibrium adsorption and diffusion properties of ethylene, oxygen and carbon dioxide gases on two kinds of molecular sieve at 25°C were measured by gravimetric methods using a Cahn-2000 electrobalance. …”
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Deciphering CSU pathogenesis: Network toxicologyand molecular dynamics of DOTP exposure by Fang Cao, Cui Guo, Jing Guo

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Toxic Effect and Molecular Mechanism of Arsenolipids on Promoting Aging in Caenorhabditis elegans by YIN Huan, SONG Bingbing, LI Ziyu, WANG Zhuo, ZHAO Qiaoli, LI Rui, CHEN Jianping, ZHONG Saiyi

Subjects: “…arsenolipids; organic arsenic; toxicity; aging; molecular mechanism; caenorhabditis elegans…”
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The inhibition of acne protease by some flavones: DFT, SWISSADMET and molecular docking by Latona Dayo, Taiwo Abiodun, Asibor Yemisi, Olarinoye Funke, Semire Banjo

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Molecular Mechanism Behind the Capture of Fluorinated Gases by Metal–Organic Frameworks by Qian Wang, Yong Hu, Yifan Gu

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