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Docking studies were performed using the molecular modeling software package SYBYL 8.0 (Tripos, USA).
The molecular recognition of RhB was analyzed in detail by using molecular modeling software (Gaussian03).
The molecular recognition of SM2 was analyzed in detail by using molecular modeling software (Gaussian 03).
The MD simulation was performed using Discover, which is a molecular modeling software package implemented with Materials Studio 4.2 [16].
Utilizing various modalities of the Rosetta Molecular Modeling Software Suite including flexible peptide docking and protein design, we comprehensively explored the sequence space recognized by the CCT domain.
In this course, we show students some impressively complex organic molecules in each of the following types of compounds: lipids, proteins, carbohydrates, and nucleic acids, and some instructors incorporate a lab using molecular models or molecular modeling software.
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We discussed a possible adsorption process with the help of Insight II molecular modelling software and contact angle measurements.
A virtual library of functional monomers was assigned and screened against the target molecule, creatinine, using molecular modelling software.
The composition of new molecularly imprinted polymers (MIPs) specific for biotin was optimised using molecular modelling software.
The software has been released as a stand-alone, open source library under the MIT license and integrated into both computational and molecular modelling software.
A methodology to select specific receptors among all possible pentapeptides randomly generated was represented by the use of molecular modelling software.
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