Iskalni niz:
išči po
išči po
išči po
išči po
Vrsta gradiva:
Jezik:
Št. zadetkov: 2
Constant-pH simulations of Miglustat as part of a multivalent ligand in GROMACS
Mark Potapov, Martin Spichty, Črtomir Podlipnik, Jurij Lah, Miha Lukšič, Gilles Marcou
Magistrsko delo
Oznake: miglustat;multivalentcy;constant pH simulations;GROMACS;
This work is devoted to molecular simulations of protein and it is ligand at constant pH. The ligand is Miglustat (N-butyl-deoxynojirimycin) is the approved chemical compound for treatment of rare autosomal recessive diseases such as Gaucher and Pompe glycogenoses. One of the interesting applicat ...
Leto: 2025 Vir: Fakulteta za kemijo in kemijsko tehnologijo (UL FKKT)
Navigating latent space of natural language processing models to explain the galaxy of chiral molecules
Natalia Baimacheva, Joao Montargil Aires de Sousa, Črtomir Podlipnik, Franc Požgan, Miha Lukšič, Gilles Marcou
Magistrsko delo
Oznake: latent space arithmetics;QSAR;language processing models;
Exploring effectiveness of representing molecular structural features in latent space of molecular heteroencoders, namely chirality. Latent space vectors are numerical vectors that can encode SMILES strings. Latent space vectors (LSV) showed ability to encode chirality of a molecule in order to clas ...
Leto: 2024 Vir: Fakulteta za kemijo in kemijsko tehnologijo (UL FKKT)
Št. zadetkov: 2
Ključne besede:
Leto izdaje:
Avtorji:
Repozitorij:
Tipologija:
Jezik: