SILCS-MC ranks top 10 on Free Energy Set 1 in the D3R Grand Challenge 2 on FXR

Grand Challenge 2 from D3R provided a farnesoid X receptor (FXR) target dataset to participants, which was used to test the performance of various computational approaches. SilcsBio’s SILCS-MC approach ranked 4th in Stage 1 and 6th in Stage 2 on the Free Energy Set 1 of this challenge. We used our unique SILCS approach to[…]

SilcsBio, LLC Announces Release of CGenFF 2.0.0

Baltimore, MD, 15 November 2016 Version 2.0.0 is the second release of CGenFF program, extending support to a larger variety of drug-like molecules to be used routinely in Computer-Aided Drug Design projects. Specifically, it improves treatment of halogen bonds, by introducing lone-pairs onto the halogen atoms of aromatic systems. Additionally, support is now extended to[…]