CADD Services

CrescentSilico provides services for projects involving CADD such as thesis, articles or any other project, including:

• QSAR Modeling: Building predictive and robust QSAR models using various methods including 2D-, 3D-, 4D-, binary-, MIA- and H-QSAR.
• SAR Analysis: Structure-activity relationship analysis using CADD methods such as activity cliff analysis.
• Pharmacophore Modeling: Building pharmacophore models via ligand-based or structure-based methods.
• Molecular Docking and Scoring: Molecular docking of ligands, peptides or proteins, including re-scoring using state of the art scoring functions.
• Molecular Dynamics Simulation: Simulation of molecular systems including protein-ligand complexes.
• Simulation Results Analysis: Simulation analysis and reporting such as RMSE, RMSF and hydrogen-bonding analysis.
• Virtual Screening: Virtual screening of compound databases using QSAR, pharmacophore, docking, etc.  
• ADMET Analysis: Predictive analysis of drug-like or lead-like properties of compounds including pharmacokinetic and toxicity assessment.

Software design & development:

• Software Design and Development: Complete small to medium software projects design & implmentation.
• Methods Implementation: Implementation of novel and cutting-edge cheminformatics & drug design algorithms and methods.
• Graphical User Interface (GUI): Modern & easy to use user interfaces including 2D and 3D molecular viewers, plotting, chemical spreadsheets, etc.
• Scripting: Writing scripts for drug design tasks in a wide variety of languages including Python, C, C++, Java and Julia.