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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
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
Building molecules using the Protein Builder
This video shows how to build a peptide from scratch; mutating residues, control backbone geometries, repacking and exploring r...
Feb-01-2024
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
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
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
Antibody Modeling and Developability Assessment
Antibody candidates often have poor biophysical properties and/or chemical liabilities that cause downstream developability iss...
Nov-21-2023
Analyzing and Optimizing Antibody Models using a Knowledge-Based Approach
Approaches for analyzing and optimizing antibody models using a knowledge-based approach. The use of a specialized antibody str...
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
Computational Approaches for Optimizing the Developability of Biotherapeutics
mAb candidates identified from high-throughput screening or binding affinity optimization often present liabilities for develop...
Nov-21-2023
Protein-Protein Docking and Epitope Analysis
The MOE Protein docking application is used to map epitopes and other protein-protein interfaces (PPI). This automatically calc...
Nov-21-2023
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