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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 […]

Baltimore, MD, 4 March 2017 In ongoing efforts to improve the coverage of the CGenFF program, version 2.1.0 of the CGenFF program extends support to the S-P bond found in the GTP-gamma like molecules. Bonded parameters and charge-distribution along the S-P bond were modeled using the CHARMM nucleic acid force-field patches for mono- and di-thio […]

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 […]

New Peer Reviewed Article Demonstrates SilcsBio, LLC’s Performance Baltimore, Maryland, 4 November 2016 Recently published research has found that SilcsBio’s product, single-step free energy perturbation (SSFEP), demonstrated equal or more accurate results than standard free energy perturbation (FEP) but a thousand times faster. Additionally, SilcsBio’s site-identification by ligand competitive saturation (SILCS) product yielded relative free […]

  FOR IMMEDIATE RELEASE: July 7, 2016 Ken Malone SilcsBio, LLC 410.929.2305 Ken.Malone@silcsbio.com   SilcsBio, LLC Receives Phase II NIH SBIR Funding   Baltimore, Maryland: SilcsBio, LLC announced today a $1.3 million funding award from the National Institute of Health to develop new computer aided drug design (CADD) software. CADD software enables pharmaceutical companies to […]