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Halogen bonding for rational drug design and new drug discovery
Expert Opinion on Drug Discovery, 2012A large number of drugs and drug candidates in clinical development contain halogen substituents. For a long time, only the steric and lipophilic contributions of halogens were considered when trying to exploit their effects on ligand binding. However, the ability of halogens to form stabilizing interactions, such as halogen bonding, hydrogen bonding ...
Yunxiang, Lu +5 more
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Protein–Protein Docking in Drug Design and Discovery
2018Protein-protein interactions (PPIs) are responsible for a number of key physiological processes in the living cells and underlie the pathomechanism of many diseases. Nowadays, along with the concept of so-called "hot spots" in protein-protein interactions, which are well-defined interface regions responsible for most of the binding energy, these ...
Agnieszka A, Kaczor +4 more
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Computational drug discovery and design
Crystallography Reviews, 2023Mutia Anika, Yogy Satria Ariyanto
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Drug Discovery and Design through Computational Innovations
Current Computer-Aided Drug Designopenaire +2 more sources
4Th Annual Congress On Drug Discovery & Designing (Drug Discovery Congress)
2017Conference Series has been organizing International Conference on Drug Discovery & Designing in consecutive years at Europe, over the last several years which met with great achievement in Business Conferencing and it has marked its Business very excited to expand America and Asia Pacific continents. Previous meetings were held in major cities like
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Machine Learning in Drug Discovery and Drug Design
2009In dieser Dissertation werden sieben Studien vorgestellt, die sich mit der Entwicklung prädiktiver Modelle zur Anwendung in der Wirkstoffsuchforschung beschäftigen. Es wurden drei neue Algorithmen entwickelt um die Genauigkeit von Vorhersagen zu erhöhen, einzelne Vorhersagen zu erklären sowie Hinweise zur Optimierung von Molekülen zu gewinnen.
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Designer drugs: the evolving science of drug discovery.
Pharmacy practice management quarterly, 1998Drug discovery and design are fundamental to drug development. Until recently, most drugs were discovered through random screening or developed through molecular modification. New technologies are revolutionizing this phase of drug development.
L A, Wanke, R F, DuBose
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Artificial intelligence for natural product drug discovery
Nature Reviews Drug Discovery, 2023Michael W Mullowney +2 more
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Deuterium in drug discovery: progress, opportunities and challenges
Nature Reviews Drug Discovery, 2023Rita Maria Concetta Di Martino +2 more
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Anti-trypanosomatid drug discovery: progress and challenges
Nature Reviews Microbiology, 2022Manu De Rycker +2 more
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