Molecular modeling evaluation of non-steroidal aromatase inhibitors

A simulation without instructional support is difficult for students to use. An optimal way of using simulations is to embed them into curriculum materials. MW has an authoring system for teachers and curriculum developers to create or customize their own online lessons that use models and simulations. A typical MW module is a comprehensive learning package consisting of a series of scaffolded pages that contain text, simulations, tools, controls, graphs, navigation links, and embedded assessments. The user interfaces of simulations in MW can be customized for students of different levels (grades 6-16). This unique feature enables it to support a wide range of instructional strategies such as inquiry-based, discovery-based, and problem-based learning.

MolView is an intuitive, Open-Source web-application to make science and education more awesome! MolView is mainly intended as web-based data visualization platform. You can use MolView to search through different scientific databases including compound databases, protein databases and spectral databases, and view records from these databases as interactive visualizations using WebGL and HTML5 technologies. This web application is built on top of the JavaScript libraries and online services listed below. The Virtual Model Kit has been a source of inspiration for the birth of this project.

Accuracy can always be improved with greater computational cost. Significant errors can present themselves in ab initio models comprising many electrons, due to the computational cost of full relativistic-inclusive methods. This complicates the study of molecules interacting with high atomic mass unit atoms, such as transitional metals and their catalytic properties. Present algorithms in computational chemistry can routinely calculate the properties of molecules that contain up to about 40 electrons with sufficient accuracy. Errors for energies can be less than a few kJ/mol. For geometries, bond lengths can be predicted within a few picometres and bond angles within degrees. The treatment of larger molecules that contain a few dozen electrons is computationally tractable by approximate methods such as density functional theory (DFT).

As a primary research journal, JMGM seeks to bring new knowledge to the attention of our readers. As such, submissions to the journal need to not only report results, but must draw conclusions and explore implications of the work presented. Authors are strongly encouraged to bear this in mind when preparing manuscripts. Routine applications of standard modelling approaches, providing only very limited new scientific insight, will not meet our criteria for publication. Reproducibility of reported calculations is an important issue. Wherever possible, we urge authors to enhance their papers with Supplementary Data, for example, in QSAR studies machine-readable versions of molecular datasets or in the development of new force-field parameters versions of the topology and force field parameter files. Routine applications of existing methods that do not lead to genuinely new insight will not be considered.

Molecular modeling evaluation of non-steroidal aromatase inhibitors

molecular modeling evaluation of non-steroidal aromatase inhibitors

As a primary research journal, JMGM seeks to bring new knowledge to the attention of our readers. As such, submissions to the journal need to not only report results, but must draw conclusions and explore implications of the work presented. Authors are strongly encouraged to bear this in mind when preparing manuscripts. Routine applications of standard modelling approaches, providing only very limited new scientific insight, will not meet our criteria for publication. Reproducibility of reported calculations is an important issue. Wherever possible, we urge authors to enhance their papers with Supplementary Data, for example, in QSAR studies machine-readable versions of molecular datasets or in the development of new force-field parameters versions of the topology and force field parameter files. Routine applications of existing methods that do not lead to genuinely new insight will not be considered.

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molecular modeling evaluation of non-steroidal aromatase inhibitorsmolecular modeling evaluation of non-steroidal aromatase inhibitorsmolecular modeling evaluation of non-steroidal aromatase inhibitorsmolecular modeling evaluation of non-steroidal aromatase inhibitorsmolecular modeling evaluation of non-steroidal aromatase inhibitors

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