بدون شک کاملترین و پیشرفتهترین نرم افزار شبیه سازی برای مهندسی شیمی و علم مواد Schrödinger Suite است.
Schrödinger Suite is a scientific leader in computational chemistry, providing software solutions and services for life sciences and materials research.
Schrödinger aims to provide integrated software solutions and services that truly meet its customers’ needs. We want to empower researchers around the world to achieve their goals of improving human health and quality of life through advanced computational techniques that transform the way chemists design compounds and materials.
By building and deploying breakthrough scientific software solutions and forming collaborations and partnerships, we help scientists accelerate their research and development activities, reduce costs, and make novel discoveries that might otherwise not be possible.
The company's full product offerings range from general molecular modeling programs to a comprehensive suite of drug design software, as well as a state-of-the-art suite for materials research. Click on a Suite below to learn more.
From QSAR to virtual screening to binding affinity predictions, the comprehensive Small Molecule Drug Discovery Suite contains all the tools necessary for fragment-, ligand-, and structure-based drug design for lead discovery and optimization.
Biologics Suits This new, easy-to-use suite is designed from the ground up to be the first complete collection of all the tools that are important in modeling biologics, antibodies, and proteins.
This innovative new suite provides versatile and powerful tools for the quantum mechanics-based simulation of chemical systems, enabling the analysis and optimization of systems with applications in specialty chemicals and materials science.
A next-generation platform for collaborative drug design allows multi-disciplinary teams, including medicinal chemists, biologists modelers, and IT professionals, to share, view, and manage data in real time.
PyMOL is a user-sponsored molecular visualization system on an open-source foundation. Please support development of this open, effective, and affordable software by purchasing a subscription to maintenance and/or support. Thank you. For product details, please visit www.pymol.org.[box type="info" radius="2"]
- x86_64 compatible processor - ۴ GB memory per core - ۱۰ GB disk space for software installation; 400-500 GB if databases (PDB, BLAST, etc) are also installed - Network card with a configured network interface - ۱۶-bit color (for Maestro)
- ۶۰ GB minimum scratch disk space for running jobs - Graphics card that supports hardware-accelerated OpenGL with 1GB onboard memory and an up-to-date vendor-supplied graphics driver. - Monitor with a refresh rate of 60 Hz or more and 1280x1024 resolution.
For hardware stereo viewing, one of the following is required (see Article 1745 for details): - A graphics card that supports quad-buffered OpenGL stereo, with appropriate glasses, and a monitor with a refresh rate of 120 Hz or more. - A monitor that supports interlaced stereo.
For GPGPU computing with Desmond, you must have an NVIDIA Tesla graphics card on a Linux machine.[/box] [box type="note" radius="2"]
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