Words similar to electrostatics
Example sentences for: electrostatics
How can you use “electrostatics” in a sentence? Here are some example sentences to help you improve your vocabulary:
The scoring functions used for the final filtering include the all-atom function [ 32 ] , hydrophobic compactness [ 40 ] , a simple residue-residue contact function [ 44 ] , a density-scoring function that is based on the distance of a conformation to all its relatives in the conformation pool, contact order [ 45 ] , a secondary structure based scoring function that evaluates the match between the predicted structure and the secondary structure of a final energy-minimised conformation, and standard physics-based electrostatics and Van der Waals terms [ 46 ] .
The point is likewise illustrated by damping rather than magnifying intramolecular electrostatics.
The binding energy of the compounds was then evaluated with a boundary elements implementation of solvation electrostatics [ 21] and the 300 compounds showing the lowest binding energy were selected for further examination.
The flexible ligand was docked into a combination of five potential map representations of the RAR-α ligand binding pocket, which account for two Van der Waals boundaries, hydrophobicity, electrostatics and hydrogen bonding profiles [ 20, 27].
When the five C(=O)-X units are converted to trans butene moieties, now removing all heteroatoms and most of the electrostatics in the molecule, the energy minima shift once again and the average energy spread between high and low unconstrained energy conformations (i.e.