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
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