Sentence examples for minimum energy score from inspiring English sources

A flexible docking calculation [25] was performed in order to determine the global minimum energy score and thereby predict the optimum conformation of the compound within the pocket.

A compound was selected for purchase and biochemical testing based on fulfilling the criteria of interaction analysis (CIA): 1) global minimum energy score ≤−30; 2) formation of a salt-bridge and/or H-bond network within the pY-residue binding site; and 3) formation of an H-bond with or blocking access to the amide hydrogen of E638.

We found that the ligand ZINC01690699 has minimum energy score in comparison to the rest of molecules, which have almost the same energy score profile.

We further demonstrated that inhibitor ZINC01690699, having the minimum energy score (−13.0 Kcal/Mol) and a log  P value of 6, possesses the highest binding affinity towards the cysteine synthase and can be a potential putative inhibitor on the basis of the interactions with residues of the active site of cysteine synthase.

The probability of binding depends on the complementarity of the two dangling ends: The two stretches are aligned by sliding one strand on the other, to find the minimum energy score (G min (X ° Y ) ), calculated as the minimum sum of the contributions of base pair matches in a continuous stretch (i.e., gaps are not allowed).

On the basis of the virtual screening for cysteine synthase against the NCI subset II molecule, we present the molecule 1-N, 4-N-bis [3- 1H-benzimidazol-2-yl) phenyl] benzene-1,4-dicarboxamide (ZINC01690699) having the minimum energy score (−13.0 Kcal/Mol) and a log  P value of 6 as a potential inhibitory molecule used to inhibit the growth of T. vaginalis infection.

Based on minimum energy level and piCTAR scores, the gene targets were selected.

In the second stage of our approach, we then select those FASTH results that satisfy empirically derived rules unrelated to energy minimization per se, including perfect WC complementarity to the target at the 5' end of miRNAs, minimum numbers of WC base pairs at the 3' end, and/or specified free energy score thresholds.

In fact, this is what makes the problem of optimizing a structure-based energy score difficult (i.e. different set of parameters lead to possibly different minima).

In 2015, energy efficiency regulations (pdf) set out minimum energy efficiency standards for England and Wales.

Because of something called activation energy, which is defined as the minimum energy necessary to start a chemical reaction.