Results 91 to 100 of about 1,444,758 (235)

3D HOP release 4.3

, 2020
New release 3D hop 4.
Consortium 3D SHS Team
core  

3D-QSAR and pharmacophore model study on aryl diphenolic azoles as estrogen receptor-b ligands

, 2013
3D-QSAR and pharmacophore model study on aryl diphenolic azoles as estrogen receptor-b ...
Jun-Zhi Wang, 邓伟侨, Hua-Jun Luo, Kun Zou, Nian-Yu Huang   +4 more
core  

Molecular Modeling Studies of Substituted 2,4,5-Trisubstituted Triazolinones Aryl and Nonaryl Derivatives as Angiotensin II AT1 Receptor Antagonists

Journal of Chemistry, 2013
The development of new therapies to treat hypertension and cardiovascular diseases. A series of 2,4,5-trisubstituted triazolinones aryl and nonaryl derivatives were subjected to Group-based QSAR, k-nearest neighbour molecular field analysis, and ...
Mukesh C. Sharma, D. V. Kohli, Smita Sharma   +2 more
doaj   +1 more source

3D-QSAR model for the prediction of some Cannabinoids Derivatives as possible agents Potential Anti Breast Cancer

, 2019
Three-dimensional quantitative structure-activity relationship (3D-QSAR). CoMSIA methodology was applied to a series of cannabinoides molecules. For molecular alignment, the most important parameter of 3D-QSAR is the common structure (template) of all ...
Ricardo Vivas-Reyes (7821299)
core   +1 more source

3D QSAR, pharmacophore indentification studies on series of 1-(2-ethoxyethyl)-1H-pyrazolo [4,3-d]pyrimidines as phosphodiesterase V inhibitors

Journal of Saudi Chemical Society, 2015
Context: In recent years phosphodiesterase V acts as an attractive target for cardiovascular drug design and QSAR techniques are helpful for the optimization of structural requirements for designing novel compounds.
Prafulla Choudhari, Manish Bhatia
doaj   +1 more source

QSAR analysis of immune recognition for triazine herbicides based on immunoassay data for polyclonal and monoclonal antibodies.

PLoS ONE, 2019
A common task in the immunodetection of structurally close compounds is to analyze the selectivity of immune recognition; it is required to understand the regularities of immune recognition and to elucidate the basic structural elements which provide it.
Andrey A Buglak, Anatoly V Zherdev, Hong-Tao Lei, Boris B Dzantiev   +3 more
doaj   +1 more source

Acquisition, Modélisation, Préservation, Usages, ... des données 3D​: les challenges du Consortium 3D SHS

, 2020
"Le Consortium 3D SHS, labellisé en 2014 puis en 2018 par la TGIR Huma-Num, a pour vocation de fédérer les initiatives foisonnantes autour de la 3D pour les Sciences Humaines et Sociales pour définir des standards et des recommandations d'usage ainsi que
Consortium 3D SHS Team
core  

Les rencontres du Consortium 3D SHS Création -Usage scientifique - Conservation des données 3D

, 2020
La multiplication des initiatives autour de la création, des usages et de la conservation des données 3D dans les sciences humaines et sociales montrent une réelle nécessité de se coordonner afin de définir des standards dans les usages, les ...
Consortium 3D SHS Team
core  

3D-QSAR for binding constants of Β-cyclodextrin host-guest complexes by utilising spectrophores as molecular descriptors

, 2019
The increasing use of cyclodextrins (CDs) as host-molecules for host-guest complexes and their remediation application in environmental science requires to establish easily accessible models of “quantitative structure-activity relationships” (QSARs) to ...
Cole, IS, Jeschke, S
core   +1 more source

Poste en photogrammétrie et modélisation 3D ( LabEx Archimede/CFEETK)

, 2021
"Appel à candidatures du LabEx Archimede et de la Fondation Universitaire Hiérolexique (Université Paul Valéry – Montpellier 3) pour un CDD d’Ingénieur-e d’études en photogrammétrie et modélisation 3D auprès de l’USR 3172 du CNRS - CFEETK, à Karnak....
Consortium 3D SHS Team
core