खोज परिणाम - "molecular dynamics"

Drug Repurposing for Identification of S1P1 Agonists with Potential Application in Multiple Sclerosis Using In Silico Drug Design Approaches द्वारा Ali Akbar Alizadeh, Behzad Jafari, Siavoush Dastmalchi

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Bioinformatics analysis of the potential mechanisms of Alzheimer's disease induced by exposure to combined triazine herbicides द्वारा Jianan Li, Ling Qi, Yuxin Chen, Haoming Lv, Haoran Bi

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Fragment-Based Ligand Discovery Applied to the Mycolic Acid Methyltransferase Hma (MmaA4) from <em>Mycobacterium tuberculosis</em>: A Crystallographic and Molecular Modelling Study द्वारा Romain Galy, Stéphanie Ballereau, Yves Génisson, Lionel Mourey, Jean-Christophe Plaquevent, Laurent Maveyraud

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Prospecting in silico antibacterial activity of a peptide from trypsin inhibitor isolated from tamarind seed द्वारा Gerciane Silva de Oliveira, Amanda Maria de Souza Nascimento, Anna Beatriz Santana Luz, Ana Júlia Felipe Camelo Aguiar, Mayara Santa Rosa Lima, Lídia Leonize Rodrigues Matias, Isabel Rodríguez Amado, Thais Souza Passos, Karla Suzane Florentino da Silva Chaves Damasceno, Norberto de Kássio Vieira Monteiro, Susana Margarida Gomes Moreira, Lorenzo Pastrana, Ana Heloneida de Araújo Morais

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Computational screening of chalcones acting against topoisomerase IIα and their cytotoxicity towards cancer cell lines द्वारा Kanyani Sangpheak, Monika Mueller, Nitchakan Darai, Peter Wolschann, Chonticha Suwattanasophon, Ritbey Ruga, Warinthon Chavasiri, Supaporn Seetaha, Kiattawee Choowongkomon, Nawee Kungwan, Chompoonut Rungnim, Thanyada Rungrotmongkol

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A Drug Repurposing Approach for Antimalarials Interfering with SARS-CoV-2 Spike Protein Receptor Binding Domain (RBD) and Human Angiotensin-Converting Enzyme 2 (ACE2) द्वारा Paolo Coghi, Li Jun Yang, Jerome P. L. Ng, Richard K. Haynes, Maurizio Memo, Alessandra Gianoncelli, Vincent Kam Wai Wong, Giovanni Ribaudo

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Identification of Natural Products as SENP2 Inhibitors for Targeted Therapy in Heart Failure द्वारा Somayye Taghvaei, Farzaneh Sabouni, Zarrin Minuchehr

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Development and Evaluation of a Water-Free In Situ Depot Gel Formulation for Long-Acting and Stable Delivery of Peptide Drug ACTY116 द्वारा Yingxin Xiong, Zhirui Liu, Yuanqiang Wang, Jiawei Wang, Xing Zhou, Xiaohui Li

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Novel Antioxidant Self-Assembled Peptides Extracted from <i>Azumapecten farreri</i> Meat: <i>In Vitro</i>- and <i>In Silico</i>-Assisted Identification द्वारा Shuang Zheng, Ronghua Cui, Dingyi Yu, Yanxiang Niu, Xuehan Wu, Faming Yang, Jingdi Chen

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Synthesis and computational study of metal complex of α-mangostin as an anticancer candidate द्वारा Richa Mardianingrum, Srie Rezeki Nur Endah, Isti Daruwati, Muchtaridi Muchtaridi, Ruswanto Ruswanto

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Monoalkylated Epigallocatechin-3-gallate (C18-EGCG) as Novel Lipophilic EGCG Derivative: Characterization and Antioxidant Evaluation द्वारा Cristina Minnelli, Roberta Galeazzi, Emiliano Laudadio, Adolfo Amici, Dario Rusciano, Tatiana Armeni, Mattia Cantarini, Pierluigi Stipa, Giovanna Mobbili

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Formulation and Efficacy of Catalase-Loaded Nanoparticles for the Treatment of Neonatal Hypoxic-Ischemic Encephalopathy द्वारा Andrea Joseph, Chris W. Nyambura, Danielle Bondurant, Kylie Corry, Denise Beebout, Thomas R. Wood, Jim Pfaendtner, Elizabeth Nance

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Prediction of T-Cell Epitope द्वारा Hiromichi Tsurui, Takuya Takahashi

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Design, synthesis, and evaluation of novel benzoylhydrazone derivatives as Nur77 modulators with potent antitumor activity against hepatocellular carcinoma द्वारा Fengming He, Jun Chen, Taige Zhao, Qiaoqiong Wu, Na Yin, Xiumei Wang, Yijing Zhong, Xiaodan Guo, YingKun Qiu, Baicun Li, Meijuan Fang, Zhen Wu

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Residue-resolved insights into the stabilization of therapeutic proteins by excipients: A case study of two monoclonal antibodies with arginine and glutamate द्वारा Tobias M. Prass, Patrick Garidel, Lars V. Schäfer, Michaela Blech

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Discovery of potential WEE1 inhibitors via hybrid virtual screening द्वारा Tingting Jin, Wei Xu, Roufen Chen, Liteng Shen, Jian Gao, Lei Xu, Xinglong Chi, Nengming Lin, Lixin Zhou, Zheyuan Shen, Bo Zhang

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Elucidation of Teicoplanin Interactions with Drug Targets Related to COVID-19 द्वारा Faizul Azam

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

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Theoretical and Experimental Studies on Inclusion Complexes of Pinostrobin and β-Cyclodextrins द्वारा Jintawee Kicuntod, Kanyani Sangpheak, Monika Mueller, Peter Wolschann, Helmut Viernstein, Saeko Yanaka, Koichi Kato, Warinthorn Chavasiri, Piamsook Pongsawasdi, Nawee Kungwan, Thanyada Rungrotmongkol

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Search for Novel Potent Inhibitors of the SARS-CoV-2 Papain-like Enzyme: A Computational Biochemistry Approach द्वारा Manuel I. Osorio, Osvaldo Yáñez, Mauricio Gallardo, Matías Zuñiga-Bustos, Jorge Mulia-Rodríguez, Roberto López-Rendón, Olimpo García-Beltrán, Fernando González-Nilo, José M. Pérez-Donoso

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