An in-depth study of indolone derivatives as potential lung cancer treatment by Mohammed Er-rajy, Mohamed El fadili, Radwan Alnajjar, Sara Zarougui, Somdutt Mujwar, Khalil Azzaoui, Hatem A. Abuelizz, Belkheir Hammouti, Menana Elhallaoui

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Mechanistic Aspects of [3+2] Cycloaddition Reaction of Trifluoroacetonitrile with Diarylnitrilimines in Light of Molecular Electron Density Theory Quantum Chemical Study by Agnieszka Łapczuk, Mar Ríos-Gutiérrez

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A novel imatinib analogue inhibitor of chronic myeloid leukaemia: design, synthesis and characterization—explanation of its folded conformation by Rodolfo Moreno-Fuquen, Juan F. Avellaneda-Tamayo, Kevin Arango-Daraviña, Javier Ellena, Alan R. Kennedy

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5,7-Dihydroxyflavone acts on eNOS to achieve hypotensive effects in spontaneously hypertensive rats by Zi-Han Shen, Tongjie Ye, Baozhen Chen, Congchao Wan, Xiaolin Lu, Ting-Hsu Chen, Shuang Lin, Jia-Xin Ye, Liping Xie, Yaw-Syan Fu

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Molecular dynamics simulations reveal key roles of the LIF receptor in the assembly of human LIF signaling complex by Bo Gao, Hanrui Liu, Mengkai Zhu, Shun Zhang, Meiniang Wang, Yijun Ruan, Yue Zheng

Subjects: “…Molecular Dynamics…”
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Allelic variants for Waxy genes in common wheat lines bred at the Lukyanenko National Grain Center by E. R. Davoyan, L. A. Bespalova, R. O. Davoyan, E. V. Agaeva, G. I. Bukreeva, Yu. S. Zubanova, D. S. Mikov, D. M. Boldakov

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Neural network potentials for exploring condensed phase chemical reactivity by Gomez, Axel, de la Puente, Miguel, David, Rolf, Laage, Damien

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DISTRIBUTION OF ALLELIC VARIANTS OF Wx GENES IN THE COMMON WHEAT COLLECTION MADE AT THE KRASNODAR LUKYANENKO RESEARCH INSTITUTE OF AGRICULTURE by M. V. Klimushina, N. I. Gladkih, M. G. Divashuk, L. A. Bespalova, A. V. Vasilyev, G. I. Karlov

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In silico approach in the development of structural analogues of resveratrol with improved distribution in the central nervous system by Mitrović Darko, Pavlović Nebojša

Subjects: “…molecular docking…”
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Oxidative stress induced protein aggregation via GGCT produced pyroglutamic acid in drug resistant glioblastoma by Deanna Tiek, Xiao Song, Xiaozhou Yu, Runxin Wu, Rebeca Iglesia, Alicia Catezone, Katy McCortney, Jordain Walshon, Craig Horbinski, Pouya Jamshidi, Rudolph Castellani, Robert Vassar, Jason Miska, Bo Hu, Shi-Yuan Cheng

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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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Annulatascus nilensis sp. nov., a new freshwater ascomycete from the River Nile, Egypt by M.A. Abdel-Wahab, F.A. Abdel-Aziz, S.S. Mohamed, A.E. Abdel-Aziz

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Synthesis of Anti-Inflammatory Drugs’ Chalcone Derivatives and a Study of Their Conformational Properties Through a Combination of Nuclear Magnetic Resonance Spectroscopy and Molec... by Nikitas Georgiou, Andromachi Tzani, Kyriaki Vavougyiou, Christos Papadopoulos, Nikolaos Eleftheriadis, Primož Šket, Demeter Tzeli, Tuomas Niemi-Aro, Anastasia Detsi, Thomas Mavromoustakos

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Chemical reactivity of alliin and its molecular interactions with the M proteasepro of SARS-CoV-2 by López-Orozco Wendolyne, Mendoza-Huizar Humberto Luis, Álvarez-Romero Giaan Arturo, Torres-Valencia Jesús Martín, Sanchez-Zavala Maricruz

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Diversity of the Amoebozoa and Ciliophora Groups in Non-Human Primates Kept Ex Situ and in Their Handlers in Different Institutions in Brazil by Laís Dib, Breno da Silva, Lais Correa, Alcides Pissinatti, Silvia Moreira, Maria Clotilde Tavares, Rodrigo Teixeira, André Luíz da Costa, José Augusto Muniz, Amauri Junglos, Zelinda Maria Hirano, Aline Dada, Sidnei da Silva, Maria Regina Amendoeira, Alynne Barbosa

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Theoretical Calculations and Molecular Docking Analysis of 4-(2-(4-Bromophenyl)Hydrazineylidene)-3,5-Diphenyl-4H-Pyrazole Molecule by Ümit Yıldıko, Veysel Tahiroğlu, Mehmet Bağlan, Kenan Gören

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Characterization of the Interaction of a Novel Anticancer Molecule with PMMA, PCL, and PLGA Polymers via Computational Chemistry by Edwar D. Montenegro, Jamylle M. Nunes, Igor F. S. Ramos, Renata G. Almeida, Eufrânio N. da Silva Júnior, Márcia S. Rizzo, Edson C. da Silva-Filho, Alessandra B. Ribeiro, Heurison S. Silva, Marcília P. Costa

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Molecular structures and adsorption of dyes on bismuth oxychloride surfaces using density functional theory and Monte Carlo dynamic simulation by Tadesse Lemma Wakjira, Abebe Belay Gemta, Kumneger Tadele, Gashaw Beyene Kassahun, Umer sherefedin, T. Gurumurthi, Tesfaye Feyisa

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Anti-atherosclerosis potential activity from Alphitobius diaperinus: a molecular docking study on NLRP3 receptor by Firdaus Hasibuan, Erfan Andrianto Aritonang

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Prediction of ADMET profile and anti-inflammatory potential of chamuangone by Sompot Jantarawong, Puripat Wathanaphanit, Pharkphoom Panichayupakaranant, Yutthana Pengjam

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