Sentence examples for using a molecular alignment from inspiring English sources

Comparable to multifit-derived models, CoMFA and CoMSIA 3D-QSAR models were also derived using a molecular alignment obtained by docking latrunculin derivatives into the ATP active site of actin.

Jain, A. N. Surflex: Fully automatic flexible molecular docking using a molecular similarity-based search engine.

A molecular alignment of the selected scaffolds with molecules of active dataset was performed using the vROCS (release 3.1.2) [43] and visualized in VIDA (4.1.1) [44] available from OpenEye Scientific Software, Inc. [45].

To estimate the divergence between E. lineata and N. vectensis, we used a molecular clock approach based on the published multi-gene alignment of Erwin et al. [ 48].

Instead, they used a "molecular clock".

Finally, we build two predictive models via the 3D-QSAR using different molecular alignment and the alignment independent Molecular Interaction Field models.

Predictive 3D-QSAR models were established using SYBYL multifit molecular alignment rule over a training set and a test set.

An optimum alignment rule was devised based on the conformations obtained from the molecular mechanics studies, using a common substructure alignment method.

For the molecular analyses, partial sequences of the COI, 16 S rRNA, and 28 S rRNA gene fragments were obtained and afterwards checked using a sequence alignment editor (BioEdit v. 7.2.5 37 as described in Bolotov et al.8 The PCR primers are provided in Supplementary Table 4. Muscle algorithm implemented in MEGA638 was used for sequence alignment of COI, 16 S rRNA and 28 S rRNA gene fragments.

For this, we design a new version of the suffix array of alignment by using an alignment transformation and a new definition of the alignment-suffix.

Over two experiments we develop two instructional analogies using a combination of structural alignment, progressive alignment, and hierarchical alignment.