The sequences of the DNA strands making up a target structure are designed computationally, using molecular modeling and thermodynamic modeling software.
Vriend, G. WHAT IF: a molecular modeling and drug design program.
MacKerell, A. D. et al. All-atom empirical potential for molecular modeling and dynamics studies of proteins.
Huang, X. & Zhan, C. G. How dopamine transporter interacts with dopamine: insights from molecular modeling and simulation.
We also calculated the energetic coupling between Asn123 β4) and Glu264 through molecular modeling and thermodynamic double-mutant cycle analysis, suggesting that Asn123 β4) might interact with Glu264.
The high-speed machines are used for military purposes like weapons design, for scientific tasks like weather prediction and molecular modeling, and for industrial jobs like aircraft design.
Rux, J., Kuser, P. & Burnett, R. Structural and Phylogenetic Analysis of Adenovirus Hexons by Use of High-Resolution X-Ray Crystallographic, Molecular Modeling, and Sequence-Based Methods.
Anandakrishnan, R., Aguilar, B. & Onufriev, A. V. H++ 3.0: Automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations.
Molecular modeling and docking studies provided an explanation for this correlation at the structural level.
Molecular modeling and dynamics studies revealed the reason of selectivity for PTP1B over TCPTP.
