Ohcanbohtosat - "cheminformatics"

Virtual Prospection of Marine Cyclopeptides as Therapeutics by Means of Conceptual DFT and Computational ADMET Dahkki Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik

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Synthesis of curcumin derivatives containing non-steroidal anti-inflammatory drugs Dahkki Katarzyna Sowa-Kasprzak, Dorota Olender, Jacek Kujawski, Lucjusz Zaprutko, Anna Pawełczyk

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Characterizing ABC-Transporter Substrate-Likeness Using a Clean-Slate Genetic Background Dahkki Artem Sokolov, Stephanie Ashenden, Stephanie Ashenden, Nil Sahin, Nil Sahin, Richard Lewis, Nurdan Erdem, Elif Ozaltan, Andreas Bender, Frederick P. Roth, Frederick P. Roth, Frederick P. Roth, Murat Cokol, Murat Cokol, Murat Cokol, Murat Cokol

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Advances in the Applications of Bioinformatics and Chemoinformatics Dahkki Mohamed A. Raslan, Sara A. Raslan, Eslam M. Shehata, Amr S. Mahmoud, Nagwa A. Sabri

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The Triprenylated Anthranoid Ferruginin A, a Promising Scaffold for the Development of Novel Antibiotics against Gram-Positive Bacteria Dahkki Bruno Casciaro, Francesca Ghirga, Floriana Cappiello, Valeria Vergine, Maria Rosa Loffredo, Silvia Cammarone, Elena Puglisi, Carola Tortora, Deborah Quaglio, Mattia Mori, Bruno Botta, Maria Luisa Mangoni

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Descriptors of Cytochrome Inhibitors and Useful Machine Learning Based Methods for the Design of Safer Drugs Dahkki Tyler C. Beck, Kyle R. Beck, Jordan Morningstar, Menny M. Benjamin, Russell A. Norris

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Applications of Deep-Learning in Exploiting Large-Scale and Heterogeneous Compound Data in Industrial Pharmaceutical Research Dahkki Laurianne David, Laurianne David, Josep Arús-Pous, Josep Arús-Pous, Johan Karlsson, Ola Engkvist, Esben Jannik Bjerrum, Thierry Kogej, Jan M. Kriegl, Bernd Beck, Hongming Chen, Hongming Chen

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Using ChEMBL to Complement Schistosome Drug Discovery Dahkki Gilda Padalino, Avril Coghlan, Giampaolo Pagliuca, Josephine E. Forde-Thomas, Matthew Berriman, Karl F. Hoffmann

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QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery Dahkki Bruno J. Neves, Bruno J. Neves, Rodolpho C. Braga, Cleber C. Melo-Filho, José Teófilo Moreira-Filho, Eugene N. Muratov, Eugene N. Muratov, Carolina Horta Andrade

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Computational Studies of Hydroxychloroquine and Chloroquine Metabolites as Possible Candidates for Coronavirus (COVID-19) Treatment Dahkki Niteen A. Vaidya, Renu Vyas

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Chemokine Receptors-Structure-Based Virtual Screening Assisted by Machine Learning Dahkki Paulina Dragan, Matthew Merski, Szymon Wiśniewski, Swapnil Ganesh Sanmukh, Dorota Latek

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Anthelmintic activity of Piper sylvaticum Roxb. (family: Piperaceae): In vitro and in silico studies Dahkki Arkajyoti Paul, Md. Adnan, Mohuya Majumder, Niloy Kar, Muntasir Meem, Mohammed Shahariar Rahman, Akash Kumar Rauniyar, Nishat Rahman, Md. Nazim Uddin Chy, Mohammad Shah Hafez Kabir

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Natural Product-Based Studies for the Management of Castration-Resistant Prostate Cancer: Computational to Clinical Studies Dahkki Rajeev K. Singla, Rajeev K. Singla, Pooja Sharma, Pooja Sharma, Ankit Kumar Dubey, Rohit Gundamaraju, Dinesh Kumar, Suresh Kumar, Reecha Madaan, Richa Shri, Christos Tsagkaris, Salvatore Parisi, Shikha Joon, Shikha Joon, Shailja Singla, Mohammad Amjad Kamal, Mohammad Amjad Kamal, Mohammad Amjad Kamal, Bairong Shen

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ANÁLISE DAS PROPRIEDADES DO CIS-CALAMENENO RELACIONADA À ODONTOLOGIA: ESTUDO IN SILICO Dahkki Júlia Tavares Palmeira, José Henrique de Araújo Cruz, Heloisa Mara Batista Fernandes de Oliveira, Manuella Santos Carneiro Almeida, Gymenna Maria Tenório Guênes, Margareth de Fátima Formiga Melo Diniz, Hilzethe de Luna Freire Pessoa, Abrahão Alves de Oliveira Filho

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Artificial Intelligence and Machine Learning Models for Predicting Drug-Induced Kidney Injury in Small Molecules Dahkki Mohan Rao, Vahid Nassiri, Sanjay Srivastava, Amy Yang, Satjit Brar, Eric McDuffie, Clifford Sachs

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Pharmacokinetic study with computational tools in the medicinal chemistry course Dahkki Monique Araújo de Brito

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Targeting NMDA receptor in Alzheimer's disease: identifying novel inhibitors using computational approaches Dahkki Arif Jamal Siddiqui, Riadh Badraoui, Sadaf Jahan, Mohammed Merae Alshahrani, Maqsood Ahmed Siddiqui, Andleeb Khan, Mohd Adnan

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Extending in Silico Protein Target Prediction Models to Include Functional Effects Dahkki Lewis H. Mervin, Avid M. Afzal, Lars Brive, Ola Engkvist, Andreas Bender

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Scaffold Hopping of α-Rubromycin Enables Direct Access to FDA-Approved Cromoglicic Acid as a SARS-CoV-2 M^Pro Inhibitor Dahkki Hani A. Alhadrami, Ahmed M. Sayed, Heba Al-Khatabi, Nabil A. Alhakamy, Mostafa E. Rateb

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Consensus rank orderings of molecular fingerprints illustrate the most genuine similarities between marketed drugs and small endogenous human metabolites, but highlight exogenous n... Dahkki Steve O'Hagan, Douglas Bruce Kell

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