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Molecular Operating Environment
Integrated Computer-Aided Molecular Design Platform
Small Molecules - Peptides - Biologics
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Antibody and Biologics Design
Computing molecular properties for a database of small molecules using Calculate Descriptors
This video shows how to compute molecular properties for a database of molecules for tasks such as filtering, building QSAR mod...
Nov-21-2023
Using Surface and Maps to Understand Properties and HotSpots
This video shows how to generate visual representations of molecular surfaces and hotspots with examples applied to a protein-l...
Feb-09-2024
Structure-Based Charge Calculations for Predicting Properties and Profiling Antibody Therapeutics
In this work, we present a method for modeling antibodies and performing pH-dependent conformational sampling, which can enhanc...
Dec-18-2023
New and Enhanced Features in Biologics in MOE 2022.02
MOE’s latest release continues the development of its comprehensive package of applications for computer-aided molecular design...
Nov-21-2023
New and Enhanced Features in MOE 2022.02
MOE’s latest release continues the development of its comprehensive package of applications for computer-aided molecular design...
Nov-21-2023
Antibody Modeling and Developability Assessment
Antibody candidates often have poor biophysical properties and/or chemical liabilities that cause downstream developability iss...
Nov-21-2023
Protein Surface Charge and Hydrophobic Patch Analysis
Protein patch analysis is a computational method for identifying and assessing protein interaction hot spots which may be impli...
Nov-21-2023
New and Enhanced Features in Biologics in MOE 2020.09
Improvements in structure and property predictions of proteins and antibodies continue in MOE 2020.09. The IMGT scheme for anti...
Dec-18-2023
Creating and Analyzing Focused Mutant Libraries for Protein Engineering
Computational techniques for optimizing the affinity of a potential therapeutic protein or antibody are described. Experimental...
Nov-21-2023
Developability Assessment & Property Prediction by pH-Dependent Conformational Sampling
mAb candidates identified from high-throughput screening or binding affinity optimization often present liabilities for develop...
Nov-21-2023
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