Biophysics in the Big Easy

Performed without any influence of the electron density, the ICM optimization shifted the ligand by 1.3 Å and found a pose with better binding interactions ...







A Selection of some of our Scientific publications - Eurofins
In this review, we compare the development of computer modeling in three major drug classes (antineoplastic agents, cardiovascular agents, and.
Gábor Náray-Szabó Editor - Protein Modelling
favorable at pH 5.5 because Glu-2 is negatively charged and it is close to the N-terminus while His-12 is positively charged and it is close to the C-terminus.
Molecular determinants of the Kv1.3/KCNE4 interaction
... the channel with mutations in the pore domain found to have a higher clinical risk than mutations from either the N or C-terminus of hERG [1].
Abstract Book - ANSTO
These results indicate that the N-terminal residue is crucial in determining the selectivity of PepTSt. ... model of the open hERG K+ channel ...
Computer Modeling of Protein-Ligand Interactions at ... - UQ eSpace
ABSTRACT: The review highlights the hydantoin syntheses presented from the point of view of the preparation methods.
Accurate Prediction of Ligand Affinities for a Proton - CORE
Pr. Alessandra Fiorio Pla, University of Turin (Italy). Directeur de thèse. Pr. Dimitra Gkika, Université de Lille (France). Directeur de thèse.
Recent Advances in the Synthesis of Hydantoins - HAL
The presented work is result of research accomplished by Lena Karin Müller from July 2016 to. December 2019 at the Technical University of Darmstadt, ...
« TRP channels functional role in prostate ... - Université de Lille
This is a reprint of articles from the Special Issue published online in the open access journal. International Journal of Molecular Sciences ( ...
Chemical synthesis of switchable peptide-based nanopores - TUprints
Membrane transporters are critical modulators of drug pharmacokinetics, efficacy, and safety. One example is the proton-dependent oligopeptide.
Application des réactions pallado-catalysées à la synthèse de ...
Un dérivé de 2-N-acylamino-3-cyanopyridine a été identifié comme hit, puis optimisé par les chercheurs des laboratoires Takeda.
l\cember Jc&e. - Open Research Online
For the full dataset including artworks, Miss pageants winners and Playboy models, the best. 274 model was A, with an AIC of 8.89 (see figure 3) ...
sparks controversy - Archives of the University of Notre Dame
Players stationed about the field look very strange in safety gear and clothing which covers their shoulders and chest but leaves their cleavage exposed.