Rezultaty - "Computational Chemistry"

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

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

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The Molecular Mechanisms of Anesthetic Action: Updates and Cutting Edge Developments from the Field of Molecular Modeling od Edward J. Bertaccini

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

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

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Quantum mechanics implementation in drug-design workflows: does it really help? od Arodola OA, Soliman MES

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

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

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

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In Silico Pharmacy: From Computations to Clinics od Mehdi Soleimani, Mahmoud Mirzaei

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Dihydropyrazole-Carbohydrazide Derivatives with Dual Activity as Antioxidant and Anti-Proliferative Drugs on Breast Cancer Targeting the HDAC6 od 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

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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 od Rodrigo Mancini Santos, Camila Assis Tavares, Taináh Martins Resende Santos, Hassan Rasouli, Teodorico Castro Ramalho

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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 od 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

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Targets Fishing and Identification of Calenduloside E as Hsp90AB1: Design, Synthesis, and Evaluation of Clickable Activity-Based Probe od 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

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Organophosphorus Chemistry 2018 od Keglevich, György

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Synthesis of Heteroaromatic Compounds

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Antinociceptive Activity of Chemical Components of Essential Oils That Involves Docking Studies: A Review od 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

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PEMBELAJARAN STEREOKIMIA BERBASIS VISUALISASI 3D UNTUK MENINGKATKAN KEMAMPUAN SPASIAL DAN KETERAMPILAN MEMPREDIKSI KESTABILAN MOLEKUL ORGANIK MAHASISWA CALON GURU od Setyarini, M

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