Resultados de búsqueda - "molecular dynamics"

Identification of a Novel Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase: In Vitro and In Silico Studies por Raquel B. M. de Almeida, Deyse B. Barbosa, Mayra R. do Bomfim, Jéssika A. O. Amparo, Bruno S. Andrade, Silvia L. Costa, Joaquín M. Campos, Jorddy N. Cruz, Cleydson B. R. Santos, Franco H. A. Leite, Mariana B. Botura

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Understanding the cross-resistance of oseltamivir to H1N1 and H5N1 influenza A neuraminidase mutations using multidimensional computational analyses por Singh A, Soliman ME

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Revisiting the nature and pharmacodynamics of tacrolimus metabolites por Rudy Mevizou, Hassan Aouad, François-Ludovic Sauvage, Hélène Arnion, Emilie Pinault, Jean-Sébastien Bernard, Gildas Bertho, Nicolas Giraud, Rodolphe Alves de Sousa, Adolfo Lopez-Noriega, Florent Di Meo, Mélanie Campana, Pierre Marquet

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Designing Potent Anticancer Peptides by Aurein 1.2 Key Residues Mutation and Catenate Cell-Penetrating Peptide por Hamta Salarpour Garnaie, Arman Shahabi, Mohammad Hossein Geranmayeh, Abolfazel Barzegar, Ahmad Yari Khosroushahi

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Structure of the voltage-gated potassium channel KV1.3: Insights into the inactivated conformation and binding to therapeutic leads por K. George Chandy, Karoline Sanches, Raymond S. Norton

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Computational Exploration of Potential Pharmacological Inhibitors Targeting the Envelope Protein of the Kyasanur Forest Disease Virus por Sharanappa Achappa, Nayef Abdulaziz Aldabaan, Shivalingsarj V. Desai, Uday M. Muddapur, Ibrahim Ahmed Shaikh, Mater H. Mahnashi, Abdullateef A. Alshehri, Basheerahmed Abdulaziz Mannasaheb, Aejaz Abdullatif Khan

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High-throughput discovery of highly selective reversible hMAO-B inhibitors based on at-line nanofractionation por Yu Fan, Jincai Wang, Jingyi Jian, Yalei Wen, Jiahao Li, Hao Tian, Jacques Crommen, Wei Bi, Tingting Zhang, Zhengjin Jiang

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Evaluation of sesquiterpene coumarins from Ferula assa-foetida on VEGF, MMP9, MMP2 and study of biding modes using computational methods por Kh. Almasi, N. Ghiasvand, F. Jafari, F. Jalilian, A. Kiani, M. Shahlaei, Y. Shokoohinia

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Harmaline to Human Mitochondrial Caseinolytic Serine Protease Activation for Pediatric Diffuse Intrinsic Pontine Glioma Treatment por Morena Miciaccia, Francesca Rizzo, Antonella Centonze, Gianfranco Cavallaro, Marialessandra Contino, Domenico Armenise, Olga Maria Baldelli, Roberta Solidoro, Savina Ferorelli, Pasquale Scarcia, Gennaro Agrimi, Veronica Zingales, Elisa Cimetta, Simone Ronsisvalle, Federica Maria Sipala, Paola Loguercio Polosa, Cosimo Gianluca Fortuna, Maria Grazia Perrone, Antonio Scilimati

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Structural Characterization of Peripolin and Study of Antioxidant Activity of HMG Flavonoids from Bergamot Fruit por Lucia Bartella, Fabio Mazzotti, Ines Rosita Talarico, Giuseppina De Luca, Ilaria Santoro, Mario Prejanò, Costanza Riccioni, Tiziana Marino, Leonardo Di Donna

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Identification of potent natural compounds in targeting Leishmania major CYP51 and GP63 proteins using a high-throughput computationally enhanced screening por Deepak A. Yaraguppi, Sanjay H. Deshpande, Zabin K. Bagewadi, Uday Muddapur, Sushil Anand, Santosh B. Patil

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Development of a novel multi-epitope mRNA vaccine candidate to combat HMPV virus por Shiyang Ma, Fei Zhu, Yizhong Xu, Haicheng Wen, Mingjun Rao, Peipei Zhang, Wenzhong Peng, Yanhui Cui, Hang Yang, Caixia Tan, Jie Chen, Pinhua Pan

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Luteolin Inhibits Vascular Smooth Muscle Cell Proliferation and Migration by Inhibiting TGFBR1 Signaling por Yu-Ting Wu, Yu-Ting Wu, Ling Chen, Ling Chen, Zhang-Bin Tan, Zhang-Bin Tan, Hui-Jie Fan, Hui-Jie Fan, Ling-Peng Xie, Ling-Peng Xie, Wen-Tong Zhang, Wen-Tong Zhang, Hong-Mei Chen, Hong-Mei Chen, Jun Li, Jun Li, Bin Liu, Bin Liu, Ying-Chun Zhou, Ying-Chun Zhou

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Anti-bacterial compounds from Indian curry-leaf tree Murraya koenigii have potential to inhibit carbapenem-resistant Streptococcus pneumoniae por Soumya Basu, Balaji Veeraraghavan, Anand Anbarasu

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Mapping the Interface of a GPCR Dimer: A Structural Model of the A2A Adenosine and D2 Dopamine Receptor Heteromer por Dasiel O. Borroto-Escuela, David Rodriguez, Wilber Romero-Fernandez, Jon Kapla, Mariama Jaiteh, Anirudh Ranganathan, Tzvetana Lazarova, Kjell Fuxe, Jens Carlsson

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Mechanical properties and immunotherapeutic effects of dissolving microneedles with different drug loadings based on hyaluronic acid por Dazhi Wang, Meihua Jiang, Xiaowen Wang, Chen Wang, Xiaoyu Ou, Lei Shang

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Investigation into the Interaction between Penicillin-Resistant and Penicillin-Susceptible Gonococcal Penicillin-Binding Protein 2 and Target Phenolic Ligands through Molecular Doc... por Sinethemba Yakobi, Lindiwe Zuma, Ofentse Pooe

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In Silico Study, Synthesis, and Cytotoxic Activities of Porphyrin Derivatives por Fransiska Kurniawan, Youhei Miura, Rahmana Emran Kartasasmita, Naoki Yoshioka, Abdul Mutalib, Daryono Hadi Tjahjono

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Computational comparison of two new fusion proteins for multiple sclerosis por Nasrin Payab, Karim Mahnam, Mostafa Shakhsi-Niaei

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In Vitro, In Vivo and In Silico Effectiveness of LASSBio-1386, an N-Acyl Hydrazone Derivative Phosphodiesterase-4 Inhibitor, Against Leishmania amazonensis por Dahara Keyse Carvalho Silva, Dahara Keyse Carvalho Silva, Jessicada Silva Teixeira, Jessicada Silva Teixeira, Diogo Rodrigo Magalhães Moreira, Tiago Fernandes da Silva, Eliezer Jesus de Lacerda Barreiro, Humberto Fonseca de Freitas, Samuel Silva da Rocha Pita, André Lacerda Braga Teles, Elisalva Teixeira Guimarães, Elisalva Teixeira Guimarães, Milena Botelho Pereira Soares, Milena Botelho Pereira Soares

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