Words similar to molsoft
Example sentences for: molsoft
How can you use “molsoft” in a sentence? Here are some example sentences to help you improve your vocabulary:
We applied a flexible virtual screening algorithm (Molsoft ICM, virtual library screening module [ 17]) which rapidly docks hundreds of thousands of flexible compound structures into the ligand binding pocket of RAR, and discovered two novel RAR-β selective agonists.
This rapid docking procedure was followed by a more refined energy minimization of the complex, with a full atom representation of the receptor, and flexible receptor side chains, according to the ICM stochastic global optimization algorithm [ 26, 27] as implemented in the Molsoft ICM 2.7 program [ 17].
Each compound of the database was docked in the grid potential representation of the alpha4-beta2 receptor (without a water molecule), and assigned a score reflecting the quality of the fit, as implemented in the ICM-VLS module (Molsoft LLC, San Diego, CA).