Search Results - "computational chemistry"

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  1. 41
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    New Trimethoprim-Like Molecules: Bacteriological Evaluation and Insights into Their Action by Marta Jorba, Marina Pedrola, Ouldouz Ghashghaei, Rocío Herráez, Lluis Campos-Vicens, Franciso Javier Luque, Rodolfo Lavilla, Miguel Viñas

    Published 2021
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  2. 42
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    Discovery of a Novel MyD88 Inhibitor M20 and Its Protection Against Sepsis-Mediated Acute Lung Injury by Jiali Song, Daoxing Chen, Yingqiao Pan, Xueqin Shi, Qian Liu, Xiaoyao Lu, Ximing Xu, Ximing Xu, Ximing Xu, Gaozhi Chen, Yuepiao Cai

    Published 2021
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  3. 43
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    The Molecular Mechanisms of Anesthetic Action: Updates and Cutting Edge Developments from the Field of Molecular Modeling by Edward J. Bertaccini

    Published 2010
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  4. 44
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    Pharmacophore-Based Discovery of Substrates of a Novel Drug/Proton-Antiporter in the Human Brain Endothelial hCMEC/D3 Cell Line by Maria Smirnova, Laura Goracci, Gabriele Cruciani, Laetitia Federici, Xavier Declèves, Hélène Chapy, Salvatore Cisternino

    Published 2022
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  5. 45
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    Assessment of computational approaches in the prediction of spectrogram and chromatogram behaviours of analytes in pharmaceutical analysis: assessment review by M. Malarvannan, K. Vinod Kumar, Y. Padmanabha Reddy, Pallaprolu Nikhil, Dande Aishwarya, V. Ravichandiran, P. Ramalingam

    Published 2023
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  6. 46
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    Quantum mechanics implementation in drug-design workflows: does it really help? by Arodola OA, Soliman MES

    Published 2017
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  7. 47
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    Unveiling geniposide from Paederia foetida as a potential antihypertensive treatment: an integrated approach involving in vivo and computational methods by Chanchal Koley, Arijit Mondal, Suddhsattya Dey, Ravi Rawat, Anjan Mondal, Naresh Kumar Rangra, Deeparani Urolagin, Padmacharan Behera, Dibya Lochan Mohanty, Ameeduzzafar Zafar, Volkan Eyupoglu

    Published 2024
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  8. 48
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    New strategies for identifying and masking the bitter taste in traditional herbal medicines: The example of Huanglian Jiedu Decoction by Xiumei Ke, Hongyan Ma, Junxuan Yang, Min Qiu, Jianwei Wang, Li Han, Dingkun Zhang

    Published 2022
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  9. 49
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    In silico study of dimethyltryptamine analogues against 5-HT1B receptor: Molecular docking, dynamic simulations and ADMET prediction by Neyder Contreras, Antistio Alvíz-Amador, Isabella Manzur-Villalobos

    Published 2022
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  10. 50
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    In Silico Pharmacy: From Computations to Clinics by Mehdi Soleimani, Mahmoud Mirzaei

    Published 2018
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  11. 51
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    Dihydropyrazole-Carbohydrazide Derivatives with Dual Activity as Antioxidant and Anti-Proliferative Drugs on Breast Cancer Targeting the HDAC6 by Irving Balbuena-Rebolledo, Astrid M. Rivera-Antonio, Yudibeth Sixto-López, José Correa-Basurto, Martha C. Rosales-Hernández, Jessica Elena Mendieta-Wejebe, Francisco J. Martínez-Martínez, Ivonne María Olivares-Corichi, José Rubén García-Sánchez, Juan Alberto Guevara-Salazar, Martiniano Bello, Itzia I. Padilla-Martínez

    Published 2022
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  12. 52
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    MD Simulations to Calculate NMR Relaxation Parameters of Vanadium(IV) Complexes: A Promising Diagnostic Tool for Cancer and Alzheimer's Disease by Rodrigo Mancini Santos, Camila Assis Tavares, Taináh Martins Resende Santos, Hassan Rasouli, Teodorico Castro Ramalho

    Published 2023
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  13. 53
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    An understanding of coronavirus and exploring the molecular dynamics simulations to find promising candidates against the Mpro of nCoV to combat the COVID-19: A systematic review by Madhur Babu Singh, Ritika Sharma, Durgesh Kumar, Pankaj Khanna, Mansi, Leena Khanna, Vinod Kumar, Kamlesh Kumari, Akanksha Gupta, Preeti Chaudhary, Neha Kaushik, Eun Ha Choi, Nagendra Kumar Kaushik, Prashant Singh

    Published 2022
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  14. 54
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    Targets Fishing and Identification of Calenduloside E as Hsp90AB1: Design, Synthesis, and Evaluation of Clickable Activity-Based Probe by Shan Wang, Yu Tian, Jing-Yi Zhang, Hui-Bo Xu, Ping Zhou, Min Wang, Sen-Bao Lu, Yun Luo, Min Wang, Gui-Bo Sun, Xu-Dong Xu, Xiao-Bo Sun

    Published 2018
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  15. 55
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    Organophosphorus Chemistry 2018 by Keglevich, György

    Published 2020
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  16. 56
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    Synthesis of Heteroaromatic Compounds

    Published 2023
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  17. 57
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    Antinociceptive Activity of Chemical Components of Essential Oils That Involves Docking Studies: A Review by Davidson Barbosa Assis, Humberto de Carvalho Aragão Neto, Diogo Vilar da Fonsêca, Humberto Hugo Nunes de Andrade, Renan Marinho Braga, Nader Badr, Mayara dos Santos Maia, Ricardo Dias Castro, Luciana Scotti, Marcus Tullius Scotti, Reinaldo Nóbrega de Almeida

    Published 2020
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  18. 58
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    PEMBELAJARAN STEREOKIMIA BERBASIS VISUALISASI 3D UNTUK MENINGKATKAN KEMAMPUAN SPASIAL DAN KETERAMPILAN MEMPREDIKSI KESTABILAN MOLEKUL ORGANIK MAHASISWA CALON GURU by Setyarini, M

    Published 2017
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