Chemoinformatics
Chemoinformatics is the application of computing and information technology to chemistry. Since LifeSciSoft is focused on the Life Sciences, most of the software here is applicable to drug design, medicinal chemistry, or similar applications. This includes chemoinformatics software for molecular modelling, compound library screening, dissolution, pharmacology simulations, and many other computational tools focused on the life science side of chemoinformatics.
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Canvas
Canvas is a powerful suite of cheminformatics tools built on innovative technologies that achieve unmatched performance and versatility. Canvas offers solutions to a wide range of problems faced by researchers with all levels ...
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CombiGlide
CombiGlide combines accurate ligand-receptor scoring, clever combinatorial docking algorithms, and highly efficient core-hopping technology to design focused libraries and identify new scaffolds. These technologies greatly fa ... -
ConfGen
Reproducing bioactive ligand geometries in minimally sized conformer sets, accurate results from high-performance ConfGen calculations save time and effort in downstream applications. -
Core Hopping
In addition to more conventional ligand-based methods, Core Hopping offers receptor-based scaffold hopping, exploiting information about the active site and known binding poses to guide the search for novel cores. -
Desmond
Desmond's combined speed and accuracy make possible long time scale molecular dynamics simulations, allowing users to examine events of great biological and pharmaceutical importance. Seamlessly integrated with Maestro, Desmo ... -
Epik
Combining the proven reliability of Hammett and Taft methods with powerful tautomerization tools, Epik is the program of choice for accurate enumeration of ligand protonation states in biological conditions. -
Jaguar
Jaguar is a high-performance ab initio package for both gas and solution phase simulations, with particular strength in treating metal containing systems, making it the most practical quantum mechanical tool for solving real- ... -
LigPrep
LigPrep goes far beyond simple 2D to 3D structure conversions by including tautomeric, stereochemical, and ionization variations, as well as energy minimization and flexible filters to generate fully customized ligand librari ... -
MacroModel
MacroModel combines leading force fields, accurate effective solvation models, and advanced conformational searching methods to provide the most complete molecular modeling package suitable for a wide array of research. -
Maestro
Maestro is the unified interface for all Schrodinger software. Impressive rendering capabilities, a powerful selection of analysis tools, and an easy-to-use design combine to make Maestro a versatile modeling environment for ...
- Company Name
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- geneXplain (3)
- Simulations Plus (2)
- Price
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- $0.00 - $1.00 (21)
