Verification of the three-dimensional structure of synthesized molecule by molecular dynamic simulations

• Published in: IEEE EUROCON 2017 -17th International Conference on Smart Technologies pp. 944 - 948
• Main Authors: Bigovic, Miljan, Zecevic, Zarko, Filipovic, Luka, Krstajic, Bozo
• Format: Conference Proceeding
• Language: English
• Published: IEEE 01.07.2017
• Subjects: Bioinformatics; molecular dynamics; molecule modeling; organic molecule; parallel computing simulations; protein

The paper presents comparison between molecular models made by using software packages, experimental results and performed simulations in molecular dynamics area with created molecule. Molecule was synthetized using organic synthesis strategy. After structural analysis, precise layout of all the ato...