Schrödinger's Molecular Modeling Suite is a comprehensive software package developed by Schrödinger, Inc. It is designed for molecular modeling, simulations, and computational chemistry research. The suite provides a wide range of tools and algorithms for studying molecular structures, properties, and interactions.
Key Features and Capabilities:
- Molecular Visualization: The suite includes advanced molecular visualization tools that allow users to visualize and interact with molecular structures in 3D. This helps in analyzing molecular geometry, conformational changes, and molecular interactions.
- Quantum Mechanics Simulations: Schrödinger's suite provides powerful quantum mechanics simulation capabilities for studying molecular electronic structure and properties. This includes density functional theory (DFT) calculations, ab initio methods, and semi-empirical methods.
- Molecular Dynamics Simulations: The software supports molecular dynamics simulations for studying the dynamic behavior of molecules and molecular systems over time. This includes simulations of protein-ligand interactions, protein folding, and molecular diffusion.
- Structure-Based Drug Design: Schrödinger's suite includes tools for structure-based drug design, allowing researchers to predict and optimize the binding affinity of small molecules to target proteins. This is useful in drug discovery and development.
- Quantitative Structure-Activity Relationship (QSAR) Modeling: The software provides tools for QSAR modeling, which is used to predict the biological activity of chemical compounds based on their molecular structure. This is important in rational drug design and toxicity prediction.
- High-Throughput Screening: Schrödinger's suite supports high-throughput virtual screening of chemical libraries against target proteins, enabling the rapid identification of potential drug candidates.
- Integration and Workflow Automation: The suite integrates seamlessly with other computational chemistry tools and databases, allowing users to streamline their workflows and automate repetitive tasks.
Overall, Schrödinger's Molecular Modeling Suite is a powerful software package for molecular modeling and computational chemistry research, widely used by academic researchers, pharmaceutical companies, and biotechnology firms.
Installation Guide for Schrödinger's Molecular Modeling Suite -
InstallationGuide-Schrodinger.pdf
Licence Server IP address - 10.4.2.178
Watch the videos for installation -
- Linux Installation: https://www.youtube.com/watch?v=At5_u2oa4HA
- Windows Installation: https://www.youtube.com/watch?v=oT-bwgWqH4s&list=PL3dxdlKx_Pcda6D4lS3jBZbsjU6ZwJOWo
- Mac Installation: https://www.youtube.com/watch?v=4KDu7_rFc8M&t=10s
Download Schrödinger's Molecular Modeling Suite
Schrodinger_Suites_2024-2_Windows-x64