Sökresultat - "molecular dynamics"

DEVELOPMENT OF METHODS OF SIMULATION OF THE INTERACTION OF BIOLOGICALLY ACTIVE SUBSTANCES WITH THE ACTIVE CENTER OF ANGIOTENSIN-CONVERTING ENZYME av A. A. Glushko, A. S. Chiriapkin, V. S. Chiriapkin, A. M. Murtuzalieva, Yu. A. Polkovnikova

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Computational quest to inhibit enoyl-acyl carrier protein reductase (InhA) enzyme in Mycobacterium tuberculosis from Lannea coromandelica (Houtt.) Merr. metabolite via molecular do... av Muhammad Askar

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Dental biomaterials redefined: molecular docking and dynamics-driven dental resin composite optimization av Ravinder S. Saini, Rayan Ibrahim H. Binduhayyim, Vishwanath Gurumurthy, Abdulkhaliq Ali F. Alshadidi, Lujain Ibrahim N. Aldosari, Abdulmajeed Okshah, Mohamed Saheer Kuruniyan, Doni Dermawan, Anna Avetisyan, Seyed Ali Mosaddad, Artak Heboyan

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In silico screening of Andrographis paniculata secondary metabolites as anti-diabetes mellitus through PDE9 inhibition av Netty Ino Ischak, La Aman Ode, Hamsidar Hasan, Akram La Kilo, Aiyi Asnawi

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Insights into the Adsorption Mechanisms of the Antimicrobial Peptide CIDEM-501 on Membrane Models av Daniel Alpízar-Pedraza, Yessica Roque-Diaz, Hilda Garay-Pérez, Frank Rosenau, Ludger Ständker, Vivian Montero-Alejo

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Computational Development of Inhibitors of Plasmid-Borne Bacterial Dihydrofolate Reductase av Pedro J. Silva

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Identification of novel PHGDH inhibitors based on computational investigation: an all-in-one combination strategy to develop potential anti-cancer candidates av Yujing Xu, Zhe Yang, Jinrong Yang, Chunchun Gan, Nan Qin, Xiaopeng Wei

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An in silico high-throughput screen identifies potential selective inhibitors for the non-receptor tyrosine kinase Pyk2 av Meirson T, Samson AO, Gil-Henn H

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Molecular features of interaction between VEGFA and anti-angiogenic drugs used in retinal diseases: a computational approach av Chiara Bianca Maria Platania, Luisa eDi Paola, Gian Marco eLeggio, Giovanni Luca eRomano, Filippo eDrago, Salvatore eSalomone, Claudio eBucolo

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Exploring Pyrrolo-Fused Heterocycles as Promising Anticancer Agents: An Integrated Synthetic, Biological, and Computational Approach av Roxana-Maria Amărandi, Maria-Crist, Lăcrămioara Popovici, Catalina Ionica Ciobanu, Andrei Neamțu, Ionel I. Mangalagiu, Ramona Danac

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In-depth analysis of OTC A208T case induced by OTC gene mutation and research on the prediction and simulation of the impact on protein function av Qingyang Hu, Qingyang Hu, Haiming Chen, Tianyi Liu, Xue Dong, Xue Dong, Xuejiao Hu, Xuejiao Hu, Wenxin Yan, Wenxin Yan, Zhong Li

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Identification of new small molecules as dual FoxM1 and Hsp70 inhibitors using computational methods av Zahra Alimardan, Maryam Abbasi, Ghadamali Khodarahmi, Khosrow Kashfi, Farshid Hasanzadeh, Aghaei Mahmud

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Molecular docking and dynamics studies of 8,9-dimethoxy ellagic acid contained in Peperomia pellucida (L.) Kunth against various diabetes mellitus receptors av Yasmiwar Susilawati, Raden Bayu Indradi, Aiyi Asnawi, Ellin Febrina

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Repurposing vilanterol as a novel potential antifungal for Candida albicans: In-silico & in-vitro approach av Sagunthala Murugesan Udaya Prakash, Mohammad Anaul Kabir

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Discovery of novel inhibitors of ghrelin O-acyltransferase enzyme: an in-silico approach av Faezeh Sadat Hosseini, Alireza Ghassempour, Massoud Amanlou

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Penambatan Molekuler dan Simulasi Dinamika Molekuler Senyawa Dari Genus Nigella Terhadap Penghambatan Aktivitas Enzim Protease HIV-1 av Muhammad Sulaiman Zubair, Saipul Maulana, Alwiyah Mukaddas

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Computational investigation of Pluchea indica mechanism targeting peroxisome proliferator-activated receptor gamma av Purnawan Pontana Putra, Raden Bayu Indradi, Tegar Achsendo Yuniarta, Dini Hanifa, Mokhamad Fahmi Rizki Syaban, Netty Suharti

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In silico targeting CYP51 of Naegleria fowleri using bioactive compounds from Indonesian plants av Nelson Daniel, Fisranda Ferdinand, Parikesit Arli Aditya

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Acetogenins from Annona muricata as potential inhibitors of antiapoptotic proteins: a molecular modeling study av Antony P, Vijayan R

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Design, Screening, and Testing of Non-Rational Peptide Libraries with Antimicrobial Activity: In Silico and Experimental Approaches av Paola Ruiz Puentes, María C. Henao, Carlos E. Torres, Saúl C. Gómez, Laura A. Gómez, Juan C. Burgos, Pablo Arbeláez, Johann F. Osma, Carolina Muñoz-Camargo, Luis H. Reyes, Juan C. Cruz

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