The largest database of trusted experimental protocols
Sourced in Hungary

The Omega100 is a high-performance spectrophotometer designed for precise absorption and transmission measurements. It features a wide wavelength range, advanced optics, and a user-friendly interface.

Automatically generated - may contain errors

Lab products found in correlation

2 protocols using omega100

1

Conformational Sampling and Docking Preparation

Check if the same lab product or an alternative is used in the 5 most similar protocols
The 3D molecule processing pipeline is now disconnected from the 2D loading process, above. We now use ChemAxon’s package and the command line tool CXCALC to calculate protonation states and tautomers at or near physiologically relevant pH69 (link) in three pH tranches. These are physiological, covering roughly pH 6.4 to 8.4, high, roughly pH 8.4 to 9.0, and low, roughly pH 5.8 to 6.4. Each protomer is rendered into 3D using Jchem’s molconvert (ChemAxon, Budapest, Hungary) and conformationally sampled using Omega100 (link) (OpenEye Scientific Software, Santa Fe NM).101 Atomic charges and desolvation penalties are calculated using AMSOL 7.1102 and our previously published protocol.103 (link) Files are formatted for docking as flexibase files,70 (link), 104 (link) mol2,105 sdf,106 and pdbqt.107
+ Open protocol
+ Expand
2

3D Molecule Processing Pipeline

Check if the same lab product or an alternative is used in the 5 most similar protocols
The 3D molecule processing
pipeline
is now disconnected from the 2D loading process, above. We now use
ChemAxon’s package and the command line tool CXCALC to calculate
protonation states and tautomers at or near physiologically relevant
pH69 (link) in three pH tranches. These are physiological,
covering roughly pH 6.4 to 8.4, high, roughly pH 8.4 to 9.0, and low,
roughly pH 5.8 to 6.4. Each protomer is rendered into 3D using Jchem’s
molconvert (ChemAxon, Budapest, Hungary) and conformationally sampled
using Omega100 (link) (OpenEye Scientific Software,
Santa Fe NM).101 Atomic charges and desolvation
penalties are calculated using AMSOL 7.1102 and our previously published protocol.103 (link) Files are formatted for docking as flexibase files,70 (link),104 (link) mol2,105 sdf,106 and pdbqt.107
+ Open protocol
+ Expand

About PubCompare

Our mission is to provide scientists with the largest repository of trustworthy protocols and intelligent analytical tools, thereby offering them extensive information to design robust protocols aimed at minimizing the risk of failures.

We believe that the most crucial aspect is to grant scientists access to a wide range of reliable sources and new useful tools that surpass human capabilities.

However, we trust in allowing scientists to determine how to construct their own protocols based on this information, as they are the experts in their field.

Ready to get started?

Sign up for free.
Registration takes 20 seconds.
Available from any computer
No download required

Sign up now

Revolutionizing how scientists
search and build protocols!