SilcsBio (United States)

Recent papers from SilcsBio (United States)

1. GPU‐specific algorithms for improved solute sampling in grand canonical Monte Carlo simulationsJournal of Computational Chemistry · 2023
2. Site Identification by Ligand Competitive Saturation-Biologics Approach for Structure-Based Protein Charge PredictionMolecular Pharmaceutics · 2023
3. Application of site-identification by ligand competitive saturation in computer-aided drug designNew Journal of Chemistry · 2021
4. Rapid and accurate estimation of protein–ligand relative binding affinities using site-identification by ligand competitive saturationChemical Science · 2021
5. Computational Characterization of Antibody–Excipient Interactions for Rational Excipient Selection Using the Site Identification by Ligand Competitive Saturation-Biologics ApproachCivil War Book Review · 2020
6. Simple Synthesis of a Heterocyclophane Exhibiting Anti‐c‐Met Activity by Acting as a Hatch Blocking Access to the Active Site**Chemistry - A European Journal · 2020
7. Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand OptimizationJournal of Chemical Information and Modeling · 2019
8. Exploring protein‐protein interactions using the site‐identification by ligand competitive saturation methodologyProteins Structure Function and Bioinformatics · 2018
9. Determination of Ionic Hydration Free Energies with Grand Canonical Monte Carlo/Molecular Dynamics Simulations in Explicit WaterJournal of Chemical Theory and Computation · 2018