Results 121 to 130 of about 1,444,758 (235)

Zenodo copy of generic-qsar-py-utils (version 0.21)

, 2016
<p>This is a Zenodo copy of generic-qsar-py-utils (version 0.21), for which the latest version can be found here: https://github.com/RichardLMR/generic-qsar-py-utils</p ...
Richard L. Marchese Robinson (5273902), Richard L. Marchese Robinson   +1 more
core   +1 more source

Multiway calibration in 3D QSAR

, 1998
There are many opinions about how medicinal chemistry should be practiced. The procedure described in this thesis for the design of new drugs comprises several steps including the selection of a lead compound, experimentald esign, syntheseso f new compounds, pharmacological in vitro testing, molecular modeling and multivariate statistical evaluation ...
openaire   +1 more source

Integrated molecular medicine approaches in inflammation: pharmacoinformatic modelling, virtual screening, 3D-QSAR and free energy landscape analysis of dronedarone derivatives for targeting NLRP3 inflammasome

Discover Applied Sciences
Chronic inflammatory diseases are the most significant cause of death in the world. NLRP3 is an attractive target for the design of anti-inflammatory agents.
Trupti Sameer Chitre, Aniket Limbaji Bhatambrekar, Somdatta Yashwant Chaudhari, Kalyani Dhirendra Asgaonkar, Purvaj Vijay Hirode, Vijey Aanandhi Muthukumar, Kathiravan Muthukumaradoss, Priya Deivasigamani, Venkatesan Saravanan   +8 more
doaj   +1 more source

Electrostatic Interaction Force–Based Features Using PointNet Framework in Predicting RSK2 Inhibitor Bioactivity

Journal of Chemistry
Ribosomal S6 kinase 2 (RSK2) is a key mediator of cellular signal transduction. Given its well-established roles in regulating cell proliferation, transformation, cell cycle progression, and apoptosis, RSK2 has become an important therapeutic target in ...
Tian Zhao, Rong-Ling Gu, Shijie Du, Lu Xu   +3 more
doaj   +1 more source

Cette visualisation en 3D de poumons endommagés par Covid-19 permet de mieux comprendre le danger

, 2020
" Une vidéo en 3D montre les dommages aux poumons d'une personne atteinte du Covid-19. Diffusée par le Dr. Keith Mortman, qui travaille à l'hôpital universitaire de George-Washington, aux Etats-Unis, la vidéo a été produite en partenariat avec Surgical ...
Consortium 3D SHS Team
core  

3D-QSAR studies of checkpoint kinase 1 inhibitors based on molecular docking and CoMFA

, 2010
Three-dimensional quantitative structure–activity relationship (3D-QSAR) studies were performed on a series of substituted 1,4-dihydroindeno[1,2-c]pyrazoles inhibitors, using molecular docking and comparative molecular field analysis (CoMFA). The docking
X. Ma (1721764), L. Zhou (1839697), M. Yang (1857409), Zhili Zuo (2060269), R. Wang (820652)   +4 more
core  

A scientific network serving the uses of 3D humanities

, 2020
" The 3D Consortium of the TGIR Huma-Num has been created based on the observation that there are many initiatives around 3D for the Digital Humanities without real coordination between them.
Consortium 3D SHS Team
core  

Novel Pyrazoline Derivatives as Therapeutic Candidate for Alzheimer's Disease: An Integrated Network Pharmacology and 3D-QSAR Modelling. [PDF]

Bioinform Biol Insights
Hossain MM, Singdha TR, Sakib SI, Adhikari J, Choudhury P, Miya MS, Sarker AK, Das M, Shibly AZ.   +8 more
europepmc   +1 more source

Interaction mechanism of okra (Abelmoschus esculentus L.) seed protein and flavonoids: Fluorescent and 3D-QSAR studies. [PDF]

Food Chem X, 2023
He C, Bai L, Liu D, Liu B.
europepmc   +1 more source

3D-QSAR Modeling of the Anti-Inflammatory Activity of 28 Rare Biflavones. [PDF]

ACS Omega
Zheng H, Cao Y, Chin FWL, Zhang Q, Zhan N, Zhang M, Yang X, Toy JYH, Huang D.   +8 more
europepmc   +1 more source