Remediation of the NMR data of natural glycans
K Kazantsev, P Toukach - International Journal of Biological …, 2024 - Elsevier
Primary structure elucidation in glycobiology is strongly affected by published structure-
reporting NMR signals, especially on the 13 C nucleus. The glycan NMR simulation …
reporting NMR signals, especially on the 13 C nucleus. The glycan NMR simulation …
[HTML][HTML] Stoichiometric ratios for biotics and xenobiotics capture effective metabolic coupling to re (de) fine biodegradation
TM Nolte, WJGM Peijnenburg, AB Rios-Miguel… - Water Research, 2022 - Elsevier
Preserving human and environmental health requires anthropogenic pollutants to be
biologically degradable. Depending on concentration, both nutrients and pollutants induce …
biologically degradable. Depending on concentration, both nutrients and pollutants induce …
Theoretical models of staurosporine and analogs uncover detailed structural information in biological solution
Staurosporine and its analogs (STA-analogs) are indolocarbazoles (ICZs) compounds able
to inhibit kinase proteins in a non-specific way, while present antimicrobial and cytostatic …
to inhibit kinase proteins in a non-specific way, while present antimicrobial and cytostatic …
Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations
VH Rusu, DES Santos, MD Poleto… - Journal of Chemical …, 2020 - ACS Publications
Rotational Profiler provides an analytical algorithm to compute sets of classical torsional
dihedral parameters by fitting an empirical energy profile to a reference one that can be …
dihedral parameters by fitting an empirical energy profile to a reference one that can be …
[PDF][PDF] Pei nenburg, W
TM Nolte - GM, Rios-Miguel,. B., Zhang,., & …, 2022 - scholarlypublications …
Preserving human and environmental health requires anthropogenic pollutants to be
biologically degradable. Depending on concentration, both nutrients and pollutants induce …
biologically degradable. Depending on concentration, both nutrients and pollutants induce …
Análise da estrutura e conformação de ácidos siálicos
BRB Godoy - 2021 - lume.ufrgs.br
Descobertos nos Deuterostômios, os ácidos siálicos (Sias) constituem uma família de
carboidra-tos estruturalmente diversa, podendo ser encontrados frequentemente ligados …
carboidra-tos estruturalmente diversa, podendo ser encontrados frequentemente ligados …
Otimização do campo de força gromos para simulação de hexopiranoses e pentofuranoses por meio de correções empíricas de parâmetros torcionais
JL Meirelles - 2021 - lume.ufrgs.br
Carboidratos são biomoléculas extremamente importantes, participando da estrutura de
ácidos nucleicos, glicoproteínas, reconhecimento célula-célula ou no desenvolvimento de …
ácidos nucleicos, glicoproteínas, reconhecimento célula-célula ou no desenvolvimento de …