Improving PROTAC properties via single-point changes to linkers
We explore how computational methods can be applied to proteolysis targeting chimera (PROTAC) design, to effectively tackle some of the ...
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We explore how computational methods can be applied to proteolysis targeting chimera (PROTAC) design, to effectively tackle some of the ...
Free Energy Perturbation for membrane proteins Free Energy Perturbation (FEP) has a well-earned reputation as an incredibly reliable and accurate ...
January 29th 2024, Cambridge, UK - Cresset, a provider of integrated in silico solutions for drug discovery, has released the ...
Cresset의 CADD 워크벤치인 Flare V8에서는 리간드-단백질 복합체의 결합 자유 에너지 계산을 위한 신규 Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) 방법, ...
Version 8 of Flare, Cresset’s CADD workbench, brings new and enhanced scientific features and methods, including the new Molecular Mechanics/Generalized ...
In this article, we take a deep dive into the unique technical features of Cresset’s accessible Free Energy Perturbation solution, ...
Subgraph analysis is a valuable method for enhancing the precision and reliability of FEP calculations, enhancing their applicability in computational ...
子图分析是一种非常有价值的方法,用来提高FEP计算精度和可靠性,并增强其在计算药物发现中的适用性。
Learn how the XED Force Field and QSAR modeling, within CADD Software solution, Flare™ can be reliably used to build ...
Topics in this month's newsletter include FEP on membrane targets; ligand-based approaches to PDE10A activity prediction; and the challenges in ...
Optimize your decision-making across the entire design-make-test-analyze (DMTA) cycle with this month's collection of CADD software features, expert scientific opinion, ...
The globalized outsourcing model of modern drug discovery is driving efficiencies across the Design-Make-Test-Analyze (DMTA) cycle. With projects typically involving ...