Everything about Molecular Operating Environment
Drug discovery software system
Molecular Operating Environment (MOE) is a drug discovery software platform that integrates visualization, modeling and simulations, as well as methodology development, in one package. MOE scientific applications are used by biologists, medicinal chemists and computational chemists in pharmaceutical, biotechnology and academic research. MOE runs on Windows, Linux, Unix, and macOS. Main application areas in MOE include structure-based design, fragment-based design, ligand-based design, pharmacophore discovery, medicinal chemistry applications, biologics applications, structural biology and bioinformatics, protein and antibody modeling, molecular modeling and simulations, virtual screening, cheminformatics & QSAR. The Scientific Vector Language (SVL) is the built-in command, scripting and application development language of MOE. Wikipedia →
🧠Start here: a 6-step reading path
- Read the overview: Molecular Operating EnvironmentA 5-minute orientation
- Skim a recent paper: FMOe: Preprocessing and Visualizing Package of the Fragment Molecular Orbital Method for Molecular Operating Environment and Its Applications in Covalent Ligand and Metalloprotein AnalysesInfluential work since 2022
- Pick up a classic book: ChemistryThe most-reprinted book on the subject
- Read the landmark paper: Medicinal Chemistry and the Molecular Operating Environment (MOE): Application of QSAR and Molecular Docking to Drug DiscoveryCited 1,113 times
- Go sideways: Docking (molecular)A closely related topic
- Go sideways: Drug designA closely related topic
đź“– Definitions
No dictionary entry for this exact phrase.
🗂️ The subject at a glance
🏆 Landmark papers (most cited)
Medicinal Chemistry and the Molecular Operating Environment (MOE): Application of QSAR and Molecular Docking to Drug Discovery
Molecular epidemiology of microbial contamination in the operating room environment: Is there a risk for infection?
Assessment of fully automated antibody homology modeling protocols in molecular operating environment
DommiMOE: An implementation of ligand field molecular mechanics in the molecular operating environment
Molecular modeling of estrogen receptor using molecular operating environment
🆕 Influential since 2022
đź“š Books worth reading
ChemistryTheodore L. Brown, H. Eugene Lemay · 1977
Campbell biologyLisa A. Urry, Michael L. Cain · 2015
Treaty Occupationay ToxicologySuelen Queiroz · 2010
Annual Review of MicrobiologySusan Gottesman · 2009
Programming Massively Parallel ProcessorsDavid Kirk, Wen-Mei W. Hwu · 2010
NanosystemsK. Eric Drexler · 1992
Anaesthesia for the overweight and obese patientMark Bellamy, Michel Struys · 2007
Accessing uncultivated microorganismsKarsten Zengler · 2008
Ranked by number of editions on Open Library, a rough measure of how lasting a book is.
đź”— Related topics
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- Scoring functions for docking In the fields of computational chemistry and molecular modelling, scoring functions are mathematical functions used to approximately predict the binding…
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