Download Cresset Flare 6.1.0 + License
Cresset Flare software with Full Crack and license is one of the pharmaceutical chemistry software for studying and analyzing ligand-protein interactions. Cresset flare including R-Group Analysis, Hit Expander and the Multi-Layer Perceptron machine learning method for building QSAR models. viewer and manual Enhance your designs using advanced approaches for protein-ligand analysis in this modern structure-based design platform. Cresset Flare provides fresh insights into structure-based design by integrating cutting edge approaches in an accessible and flexible user interface.
Features of the Cresset Flare
- including R-Group Analysis
- Hit Expander and the Multi-Layer Perceptron machine learning method for building QSAR models
- Rapidly analyze ligand series with a common core using R-Group Analysis
- Clustering of Dynamics trajectories
- Fast FEP analysis using new calculation methods and analysis tools
- Get accurate values for relative binding affinity within a related set of ligands using Free Energy Perturbation (FEP)
- Study the conformational changes of proteins and assess the stability of protein-ligand complexes using Molecular Dynamics experiments
- Calculation and display of Quantum Mechanics electron density maps for ligands
- Enhanced display of QM molecular electrostatic potential maps
- Automatic enumeration of ligands with undefined stereocenters in support to docking and scoring experiments
- New function to superpose two ligands based on their maximum common substructure or 3-5 picked atoms
- New Radial Plot window, showing the radial plot(s) for multiple compounds in a separate window
- New function to show boxplots of selected properties
- Enhanced labels for atoms in the 3D window, giving the option to change the background color and style, and move annotations to the desired position in the 3D window
- Enhanced options for creating protein molecular surfaces, increasing the transparency of back-facing surfaces and enabling multiple surface clips
- Choice of force fields for FEP and Dynamics calculations, including Open force field
- Get immediate feedback on where ligands complement proteins and use this in design
- Design new molecules and dock them to your protein target
- Minimize protein-ligand complexes to achieve optimal interaction for each compound
- Use the energetics of ligand binding to guide lead optimization
- Calculate the location and stability of water molecules in your protein
- Automate and customize workflows and add new menu entries through the Python API
Flare License valid and Unlimited For
- Flare
- Python GUI Capabilites
- Remote Engine Capability
- Protein Preparation
- 3D-RISM
- Protein Electrostatics
- WaterSwap
- WaterSwap Community
- Protein Minimization
- Docking local multithreaded
- Docking local and remote multithreaded
- Electrostatic Scoring
- Conformation Hunt Alignment
- REP
- Dynamics
- Creat Custom Force Field Parameters
Cresset Flare Software Detail
- Software Version: Version 6.1.0 + Flare 4.0.2 Revision 40719 +
- Activation: With License
- File Size: 780 MB + 1.30 GB
- Operating System: Windows
