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Furthermore, a good consistency between contour maps and molecular docking strongly demonstrates that the molecular modeling is reliable.
The application of Chemissian software facilitated the construction of electron density contour maps and molecular orbitals [10, 14] for nicotine (Figs. 5, 6, and 8, vide infra).
All of the structural insights obtained from both the 3D-QSAR contour maps and molecular docking are consistent with the available experimental activity data.
Important features of benzoxazepine were identified by contour maps and molecular docking study which would be useful to design novel molecules as mTOR inhibitors for the treatment of lung cancer.
Contour maps and molecular docking identified that the R1 and R2 natures at the pyrazole moiety are the important features for the optimization of the binding affinity to the DHFR receptor.
Genetic maps and molecular markers offer bean breeders the opportunity to access variability in related species that is presently masked by unadapted traits such as the Type IV climbing habit of wild beans.
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These microsatellite markers enrich the current resource of molecular markers, which would facilitate further evolution and genetic diversity studies, germplasm appraisal, genetic mapping, and molecular breeding of D. nobile and other congeneric species.
There is a dire need for rapid real-time high-throughput genomic mapping and molecular marker identification tool for isolation of quantitative trait loci, and thereby designing crops with stress, insect, and drought tolerance [7].
Subsequent to participation in IRGSP, India has continued to contribute in the areas of diversity analysis, transcriptomics, functional genomics, marker development, QTL mapping and molecular breeding, through national and multi-national research programs.
Integrated with docking-based 3D-QSAR CoMSIA modeling, molecular surface property (electrostatic and steric) mapping and molecular dynamics simulation, a set of receptor-ligand binding models and bio-affinity predictive models for rational design of more potent inhibitors of GLO I are established.
None of the dozen other genes in the vicinity are annotated, so further fine structure mapping and molecular genetic analyses will be required to establish the identity of the gene that causes the cardiac failure.
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