Schrodinger Suite

Schrodinger Suite Overview

Software package for molecular modeling and quantum chemical calculations.

Schrodinger Suite Features

• Molecular Modeling and Simulation: Offers advanced tools for building, visualizing, and analyzing molecular structures and properties.
• Quantum Mechanics Tools: Utilizes quantum chemical methods for highly accurate predictions of molecular behavior and reactivity.
• Protein Structure Prediction: Enables modeling of protein structures and refinement using advanced algorithms, including homology modeling.
• Ligand-Based Drug Design: Provides tools for pharmacophore modeling, 3D QSAR, and similarity analysis for hit identification and optimization.
• Structure-Based Drug Design: Supports molecular docking, binding site prediction, and virtual screening using accurate scoring functions.
• Molecular Dynamics Simulations: Allows simulation of biomolecular systems over time to study conformational changes and interaction dynamics.
• ADME and Toxicity Prediction: Offers predictive models for absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties.
• Automation and Workflow Design: Includes workflow management tools for automating complex computational tasks and data analysis.
• User-Friendly Interface: Features an intuitive GUI for ease of use by researchers with varying levels of computational experience.
• Cloud Computing Support: Supports cloud-based computation for scalable, high-throughput simulations and analysis.
• Integration with Databases: Enables seamless access to internal and external chemical and biological databases for data-driven research.
• Custom Scripting and APIs: Offers Python-based scripting capabilities for customized analysis and automation of tasks.

Installation

1. Install the program
2. Replace the files in the program directory with those in the Crack folder

File Information

Program version: 2025-2
Official website: link
Interface language: English
Treatment: included
Type of medicine: file replacement

System Requirements

Processor (CPU)
x86_64 compatible processor

System memory (RAM)
4 GB memory per core

Disk space
18 GB disk space for software installation; 400-500 GB if databases (PDB, BLAST, etc.) are also installed