Cresset User Group Meeting 2024
Posted
by Katie Nicoll
on
Register to join us for our upcoming User Group Meeting REGISTER HEREWe’re delighted to have colleagues from across industry and ...
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Prioritization of new molecule design using QSAR models - 2D- and 3D-QSAR studies on SARS-CoV-2 Mpro inhibitors
Posted by Natercia Braz onRobust and predictive Quantitative Structure Activity Relationships (QSAR) models can be used to both explain observed activity and to inform ...
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替换类药化合物的苯胺子结构
Posted by Giorgia Zaetta on苯胺类化合物是含有氨基的芳香族化合物，由于其结构多样性和潜在的药理学益处，已被发现可用于许多候选药物。然而，它们的加入并非没有局限性与挑战。
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Aniline replacement in drug-like compounds
Posted by Giorgia Zaetta onWe describe a research workflow for exploring alternatives to anilines and their replacement with other chemical groups, to optimize the ...
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自由能微扰方法适用于您的项目吗？
Posted by Sílvia Illa Tuset on自由能微扰（Free Energy Perturbation ，FEP）是药物发现领域一个快速发展的技术，Cresset Discovery的专业建模专家团队正在建立一个快速增长的成功完成FEP项目的系列技术组合。要想FEP项目取得最佳的成功机会，需要满足许多关键的数据要求，在本文中，我们概述了运行FEP计算的理想起点。
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Are Free Energy Perturbation (FEP) methods suitable for your project?
Posted by Sílvia Illa Tuset onThere are a number of key data requirements that are necessary for an FEP project to have the best chance ...
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Advancing Understanding of Neurodegenerative Diseases Using Computational Methods
Posted by Andy Smith onThe understanding of Alzheimer’s, Parkinson’s, dementia, amyotrophic lateral sclerosis (ALS) / motor neurone and Huntington’s disease is evolving rapidly. Research ...
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Driving Optimization of Antibiotic Drug Design
Posted by Stuart Lang onWhile the development of novel antibiotics is undoubtably a challenge, novel computational technologies and approaches do offer complementary strategies that ...
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Transforming the DMTA Cycle Through Enhanced Collaboration
Posted by Matt Giblin onDoes technology hold the potential to solve some of the most pressing challenges in drug discovery such as changing working ...
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Streamline sharing of CADD data seamlessly to accelerate your drug design process
Posted by Selma Sapmaz onThe globalized outsourcing model of modern drug discovery is driving efficiencies across the Design-Make-Test-Analyze (DMTA) cycle. With projects typically involving ...
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Escaping fluorinated chemical space
Posted by Andy Smith onAs PFAS substances come under the spotlight for their environmental impact, we explore approaches to redesigning fluorinated compounds within a ...
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Navigating unprecedented changes in the biotechnology and biochemistry sectors
Posted by Rob Scoffin onRob Scoffin, CEO, speaks to the Life Sciences Knowledge Hub about innovation and how Cresset are navigating the unprecedented changes ...