Ohcanbohtosat - "molecular dynamics"

Will EGFRvIII and neuronal-derived EGFR be targets for imipramine? Dahkki Zesheng Li, Bo Wang, Jianjian Wu, Lei Han

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The Optimal Permeation of Cyclic Boronates to Cross the Outer Membrane via the Porin Pathway Dahkki Gian Marco Tuveri, Matteo Ceccarelli, Alessandro Pira, Igor V. Bodrenko

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New Chloramphenicol Derivatives from the Viewpoint of Anticancer and Antimicrobial Activity Dahkki Panagiota C. Giannopoulou, Dionissia A. Missiri, Georgia G. Kournoutou, Eleni Sazakli, Georgios E. Papadopoulos, Dionissios Papaioannou, George P. Dinos, Constantinos M. Athanassopoulos, Dimitrios L. Kalpaxis

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Ligand-Binding Sites in Vanilloid-Subtype TRP Channels Dahkki Maria V. Yelshanskaya, Alexander I. Sobolevsky

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Pharmaceutical Hydrates Analysis-Overview of Methods and Recent Advances Dahkki Ewa Jurczak, Anna Helena Mazurek, Łukasz Szeleszczuk, Dariusz Maciej Pisklak, Monika Zielińska-Pisklak

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Development of novel ALOX15 inhibitors combining dual machine learning filtering and fragment substitution optimisation approaches, molecular docking and dynamic simulation methods Dahkki Yinglin Liao, Peng Cao, Lianxiang Luo

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Structure-based design of ligands of the m6A-RNA reader YTHDC1 Dahkki Yaozong Li, Rajiv Kumar Bedi, Francesco Nai, Valentin von Roten, Aymeric Dolbois, František Zálešák, Raed Nachawati, Danzhi Huang, Amedeo Caflisch

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Identification of Novel Arachidonic Acid 15-Lipoxygenase Inhibitors Based on the Bayesian Classifier Model and Computer-Aided High-Throughput Virtual Screening Dahkki Yinglin Liao, Peng Cao, Lianxiang Luo

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Structure Identification and Risk Assurance of Unknown Impurities in Pramipexole Oral Drug Formulation Dahkki Raymond R. Tjandrawinata, Antonius H. Cahyana, Ajeng O. Nugroho, Indra K. Adi, Joseph S. R. Talpaneni

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Identification of a RAD52 Inhibitor Inducing Synthetic Lethality in BRCA2-Deficient Cancer Cells Dahkki Qianye Yang, Qianye Yang, Yu Li, Rong Sun, Jian Li, Jian Li, Jian Li

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Kajian Dendrimer (Poly)Amidoamine (Pamam) Generasi 4 Sebagai Template Dalam Pembentukan Nanopartikel Secara In Silico Dahkki Yurika Sastyarina, Zuhrotun Nafisah, Muhammad Yusuf, Martalena Ramli, Abdul Mutalib, Ukun Soedjanaatmadja

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Advances in Modeling Approaches for Oral Drug Delivery: Artificial Intelligence, Physiologically-Based Pharmacokinetics, and First-Principles Models Dahkki Yehuda Arav

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Steroids interfere with human carbonic anhydrase activity by using alternative binding mechanisms Dahkki Alessio Nocentini, Alessandro Bonardi, Paola Gratteri, Bruno Cerra, Antimo Gioiello, Claudiu T. Supuran

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Artemisinin Targets Transcription Factor PDR1 and Impairs <i>Candida glabrata</i> Mitochondrial Function Dahkki Pan Zhu, Chaoping Yue, Xin Zeng, Xiulai Chen

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Integrative computational approaches for discovery and evaluation of lead compound for drug design Dahkki Utkarsha Naithani, Vandana Guleria

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A structure-based approach towards the identification of novel antichagasic compounds: Trypanosoma cruzi carbonic anhydrase inhibitors Dahkki Manuel A. Llanos, María L. Sbaraglini, María L. Villalba, María D. Ruiz, Carolina Carrillo, Catalina Alba Soto, Alan Talevi, Andrea Angeli, Seppo Parkkila, Claudiu T. Supuran, Luciana Gavernet

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Model-Informed Drug Development: In Silico Assessment of Drug Bioperformance following Oral and Percutaneous Administration Dahkki Jelena Djuris, Sandra Cvijic, Ljiljana Djekic

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Precision medicine at the molecular level: The promise of structure-based drug design / Dr. Siti Azma Jusoh@Yusof and Dr. Gurmeet Kaur Surindar Singh Dahkki Jusoh@Yusof, Siti Azma, Surindar Singh, Gurmeet Kaur

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Structural Insight into the Mechanism of 4-Aminoquinolines Selectivity for the alpha2A-Adrenoceptor Dahkki Li Z, Li J, Liu L, Deng W, Liu Q, Liu R, Zhang W, He Z, Fan L, Yang Y, Duan Y, Hou H, Wang X, Yang Z, Wang X, Chen S, Wang Y, Huang N, Chen J

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Experimental and molecular modeling approach to optimize suitable polymers for fabrication of stable fluticasone nanoparticles with enhanced dissolution and antimicrobial activity Dahkki Ahmed S, Govender T, Khan I, ur Rehman N, Ali W, Shah SMH, Khan S, Hussain Z, Ullah R, Alsaid MS

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