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1015. Website. schrodinger.com. Schrödinger, Inc. is an international scientific software and biotechnology company that specializes in developing computational tools and software for drug discovery and materials science. Schrödinger's software is used by pharmaceutical companies, biotech firms, and academic researchers to simulate and model ...
Available in. English. Type. Protein–ligand docking. License. Proprietary software. Website. www.schrodinger.com /products /glide. Glide is a molecular modeling software for docking of small molecules into proteins and other biopolymers. [1][2] It was developed by Schrödinger, Inc.
PyMOL is a source-available [3] molecular visualization system created by Warren Lyford DeLano. It was commercialized initially by DeLano Scientific LLC, which was a private software company dedicated to creating useful tools that become universally accessible to scientific and educational communities.
MacroModel. MacroModel is a computer program for molecular modelling of organic compounds and biopolymers. It features various chemistry force fields, plus energy minimizing algorithms, to predict geometry and relative conformational energies of molecules. [1] MacroModel is maintained by Schrödinger, LLC.
Comparison of software for molecular mechanics modeling. This is a list of computer programs that are predominantly used for molecular mechanics calculations. GPU – GPU accelerated. I – Has interface. Imp – Implicit water. MC – Monte Carlo. MD – Molecular dynamics. Min – Optimization. QM – Quantum mechanics.
List of quantum chemistry and solid-state physics software. Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical ...
2016. Lephar. Program for fast and accurate flexible docking of small molecules into a protein. No. Freeware for academic use. Glide [1] 2004. Schrödinger, Inc. Glide is a ligand docking program for predicting protein-ligand binding modes and ranking ligands via high-throughput virtual screening.
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