Necessity of quantum mechanics for predicting binding free energy

Poster   Mar 04, 2009

 
Necessity of quantum mechanics for predicting binding free energy
 
View Poster

 
 

This work is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License

 
View Poster
 
 
 

OTHER POSTERS

IntelliXtract 2.0: Simplified Intelligent Component Extraction and Detection

Poster

*Simplified detection and Component Extraction algorithm from LC-MS and GC-MS datasets
*New improved algorithm based on ion threads
*Reduced number of parameters to select for analysis
*Reduced false positives leading to reduced analysis time

READ MORE

New Biotransformation Prediction Engine Integrated into a Metabolite Identification Solution

Poster

Here we present a new prediction algorithm that determines the likelihood of biotransformation reactions, and subsequent metabolite identification, within an automated processing routine.

READ MORE

A New Method for Analyzing MSe/All Ions Fragmentation in Xenobiotic Metabolism Studies

Poster

During early drug discovery, the study of metabolism plays an essential role in determining which drug candidates move forward into development and later stages. As an alternative to traditional Data Dependent Acquisition (DDA), the use of MSE/All Ions Fragmentation (AIF) has become common in metabolite identification workflows for the analysis of metabolic hot spots. Here we present a solution for analysis of MSE/AlF in metID studies.

READ MORE

 

Comments | 0 ADD COMMENT

Like what you just read? You can find similar content on the communities below.

Proteomics & Metabolomics

To personalize the content you see on Technology Networks homepage, Log In or Subscribe for Free

LOGIN SUBSCRIBE FOR FREE