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In an effort to complement our X-ray crystallographic studies with molecular modeling exercises, we performed docking studies of compounds 5 21 with the Gold v3.1 program (Cambridge Crystallographic Data Centre), starting from the crystallographic structure of the TTR-FLU complex (PDB ID: 1BM7 Klabunde, 2000 #16).
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Our search for Leishmania GGTase-II crystal structure in databases showed that there are no crystal structures of Leishmania GGTase-II for structural studies, so we carried out the exercise of molecular modeling of Leishmania donovani GGTase-II.
We constructed a pseudo-atomic model of the inner membrane part of the basal body by combining experimental data with molecular modeling and simulations, similar as to exercised previously to unveil the architecture of large macromolecular complexes (Alber et al., 2007; Lasker et al., 2012).
Habitamu has interest in spatial modeling exercises.
Computational chemistry and molecular modeling studies.
and GAMESS [4, 5] molecular modeling programs.
An analysis of papers in three journals indicates that SA is a standard omission in hydrological modeling exercises.
From molecular modeling to 3D printing, my open-source Linux-based toolchain is considerably lengthy.
I'm repurposing the language of molecular modeling just enough to relay to viewers a sense of how hacking matter happens.
Molecular modeling supports this interpretation.
Molecular modeling supports this proposal.
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Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com