Results 171 to 180 of about 3,066,996 (254)

Improved structure of mouse gasdermin D: a new blueprint for structure-based drug design. [PDF]

Acta Crystallogr F Struct Biol Commun
De Colibus L, Ludzia P, Biasutto A, Pica A, Hopper JTS, Jazayeri A, Dürr KL.   +6 more
europepmc   +1 more source

Toxicity assessment of doxycycline-aided artificial intelligence-assisted drug design targeting candidate 16S rRNA methyltransferase gene. [PDF]

BMC Pharmacol Toxicol
Mubeen H, Rafiq N, Khan M, Jabeen S, Shoaib MW.   +4 more
europepmc   +1 more source

MolSnapper: Conditioning Diffusion for Structure-Based Drug Design. [PDF]

J Chem Inf Model
Ziv Y, Imrie F, Marsden B, Deane CM.
europepmc   +1 more source

Advancing in silico drug design with Bayesian refinement of AlphaFold models

Sen S, Hoff SE, Morozova TI, Schnapka V, Bonomi M.   +4 more
europepmc   +1 more source

<i>N</i>-Myristoyltransferase Inhibition in Parasitic Pathogens: Insights from Computer-Aided Drug Design. [PDF]

Molecules
Campos FFGR, Moura WCDS, Romário-Silva D, Araújo RSA, Morais I, Cortes S, Nogueira F, Moura RO, Nascimento IJDS.   +8 more
europepmc   +1 more source

Identification of a Novel Indolizine RORγT Inverse Agonist Using the AI-Driven Drug Design Platform

Rafał A. Bachorz, Joanna Pastwińska, Michael S. Lawless, David W. Miller, Anna Sałkowska, Kaja Karaś, Iwona Karwaciak, Jeremy O. Jones, Marcin Ratajewski   +8 more
openalex   +2 more sources

Structural bioinformatics for rational drug design. [PDF]

Res Pract Thromb Haemost
Mozaffari S, Moen A, Ng CY, Nicolaes GAF, Wichapong K.   +4 more
europepmc   +1 more source

Knowledge andStructure-Based Drug Design of 15-PGDHInhibitors

Leela S. Dodda (6391727), Sebastien Campos (3847891), David Ciccone (13431978), Samantha Carreiro (22133238), Silvana Leit (3015255), Debra Brennan (22133241), Jacqueto Zephyr (4117585), Suzanne Jacques-O’Hagan (22133244), Sheetal Kumar (22133247), Fu-Shan Kuo (18219210), Md Munan Shaik (22133250), Daniel J. Price (1833577), Christine Loh (131268), Scott D. Edmondson (1416967), Peter Tummino (16519584), Neelu Kaila (1840558)   +15 more
openalex   +1 more source

A graph-based computational approach for modeling physicochemical properties in drug design. [PDF]

Sci Rep
Al-Dayel I, Khan MA, Hanif MF, Siddiqui MK, Hanif S, Gegbe B.   +5 more
europepmc   +1 more source

Virtual screening through graphical-automatic drug design (iGEMDOCK) approach and post-screening analysis of propolis compounds’ complexes with KIFC1.

Muhammad Bilal Azmi (14519913), Simran Kumari (5628227), Sakina Aquil (21492547), Urooj Nizami (21492550), Arisha Sohail (21368142), Syed Danish Haseen Ahmed (14519922), Shamim Akhtar Qureshi (14157525)   +6 more
openalex   +1 more source