Results 181 to 190 of about 3,066,996 (254)

Selection, synthesis and evaluation of novel drug-like compounds from a library of virtual compounds designed from natural products with antiplasmodial activities

, 2020
Rostand Fankam Pokomi
openalex   +1 more source

Discovery of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 Main Protease through Computer-Aided Drug Design. [PDF]

J Med Chem
Okabe A, Carney DW, Tawada M, Akther T, Aida J, Takagi T, Dougan DR, Leffler AE, Bell JA, Frye L, Hickey ER, Komandla M, Tao W, Selimkhanov J, Yonemori K, Chang E, Saikatendu K, Ochida A.   +17 more
europepmc   +1 more source

BInD: Bond and Interaction-Generating Diffusion Model for Multi-Objective Structure-Based Drug Design. [PDF]

Adv Sci (Weinh)
Lee J, Zhung W, Seo J, Kim WY.
europepmc   +1 more source

A polycyclic scaffold identified by structure-based drug design effectively inhibits the human P2X7 receptor. [PDF]

Nat Commun
Oken AC, Turcu AL, Tzortzini E, Georgiou K, Nagel J, Westermann FG, Barniol-Xicota M, Seidler J, Kim GR, Lee SD, Nicke A, Kim YC, Müller CE, Kolocouris A, Vázquez S, Mansoor SE.   +15 more
europepmc   +1 more source

Recent advances from computer-aided drug design to artificial intelligence drug design. [PDF]

RSC Med Chem
Wang K, Huang Y, Wang Y, You Q, Wang L.
europepmc   +1 more source

Editorial: Machine learning in computer-aided drug design. [PDF]

Front Mol Biosci
Perišić O, Sevim Bayrak C, Gunady MK.
europepmc   +1 more source

Token-Mol 1.0: tokenized drug design with large language models. [PDF]

Nat Commun
Wang J, Qin R, Wang M, Fang M, Zhang Y, Zhu Y, Su Q, Gou Q, Shen C, Zhang O, Wu Z, Jiang D, Zhang X, Zhao H, Ge J, Wu Z, Kang Y, Hsieh CY, Hou T.   +18 more
europepmc   +1 more source

Zingerone-Encapsulated Nanoethosomes for Transdermal Delivery: Factorial Design-Assisted Optimization and Evaluation for Systemic Drug Delivery

M.A. Hussain, Abdul Hafeez, Shom Prakash Kushwaha   +2 more
openalex   +1 more source

Integrating Pharmacokinetics and Quantitative Systems Pharmacology Approaches in Generative Drug Design. [PDF]

J Chem Inf Model
van den Maagdenberg HW, de Mol van Otterloo J, van Hasselt JGC, van der Graaf PH, van Westen GJP.   +4 more
europepmc   +1 more source