Cresset: Your partner for virtual screening whether outsourced and/or in-house
High-throughput virtual screening is a powerful computational technique for exploring new chemical space, discovering diverse chemotypes and generating new IP ...
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High-throughput virtual screening is a powerful computational technique for exploring new chemical space, discovering diverse chemotypes and generating new IP ...
I am delighted to announce that Flare™ V5 is now available. This release of Cresset’s comprehensive platform for drug design features ...
The Cresset User Group Meeting was held virtually again this year. Thank you to everyone who attended.
Flare V5 builds on Cresset’s established structure-based design platform by integrating ligand-based methods to deliver a single molecule design solution. ...
Flare V5建立在Cresset基于结构的设计平台上,通过整合基于配体的方法来提供分子设计解决方案。它不仅包含了新的和改进的科学,而且还嵌入了之前属于Forge的各种功能,例如定性和定量SAR模型、药效团构建以及通过Flare Python API提供的QSAR功能。自由能微扰(FEP)计算的速度和自动化有了显著地改进,分子动力学模拟也有了显著的改进。
Expanding Forge™ QSAR model building to work with custom descriptors Giovanna Tedesco†, Ryuchiro Hara†
Expanding Forge™ QSAR model building to work with custom descriptors Giovanna Tedesco†, Ryuchiro Hara†
This month we welcomed Jenke Scheen, a PhD student at the University of Edinburgh, to the FEP team. Jenke's placement ...
It is often the case in drug discovery that a new hit series of compounds against a therapeutic target must ...
The use of alchemical free energy calculations in drug discovery is rapidly increasing. The ability to get accurate predictions of ...
Everyone seems to be talking about FEP. What are the challenges in the application of FEP to your drug discovery ...
In a departure from the usual Cresset User Group Meeting format, the coronavirus pandemic forced us to hold a condensed ...