Sentence examples for molecular modeling work from inspiring English sources

A literature survey and preliminary molecular modeling work have been carried out.

All molecular modeling work was conducted using by a SYBYL X 1.1 package.

Ongoing studies with solid state NMR spectroscopy and molecular modeling (work in progress) have indeed shown that these groups, in combination with the carboxyl groups at the α-end positions, are important for achieving an optimal interaction between the LCO and the amyloid.

In the current work the molecular modeling study were carried out very first time with 3D-QSAR studies [2] by correlating the docking protocol for three different datasets of B-Raf inhibitors.

In this work, we carried out a molecular modeling study on the 6-aryl-5-cyano-pyrimidine fragment LSD1 inhibitors using three-dimensional quantitative structure activity relationship (3D-QSAR), molecular docking and molecular dynamics simulations.

Computational conformational sampling underpins much of molecular modeling and design in pharmaceutical work.

In this work, multi-scale molecular modeling approaches were performed and it is found that oxazolone and imidazolone derivatives reveal similar/better interaction energy profiles compared to the FDA approved sartan molecules at the binding site of the AT1 receptor.

The computational studies were performed on a workstation running Microsoft Windows 7, which was employed for the work with the molecular modeling package Discovery Studio version 3.5 and PipelinePilot 8.0.1.

Recent work involving mutagenesis and molecular modeling has provided the first attempt in finding such changes.

In this work, we used circular dichroism and molecular modeling to examining the structure of ZNF706.

In this work, we evaluated this steric effect by using molecular modeling and dynamics.