Results 191 to 200 of about 55,819 (261)

Integrative molecular simulations reveal NeuroAid II mechanisms in ischemic stroke through network pharmacology, molecular dynamics, and pharmacophore modeling. [PDF]

Sci Rep
Dermawan D, Simatupang ST, Nadia N, Tan S, Tjandrawinata RR.   +4 more
europepmc   +1 more source

Entwicklung und stereoselektive Synthese von eisenhaltigen Eicosanoid-Analoga [PDF]

, 2010
Kausch-Busies, Nina
core  

Learned Conformational Space and Pharmacophore Into Molecular Foundational Model. [PDF]

Adv Sci (Weinh)
Wang L, Wu Y, Luo H, Liang M, Zhou Y, Chen C, Liu C, Zhang J, Zhang Y.   +8 more
europepmc   +1 more source

A Nonviral Neo-Nucleocapsid for Cell-Specific RNA Delivery Developed by Pseudo-Cyclic Peptide Grafting and Directed Evolution. [PDF]

Angew Chem Int Ed Engl
Kanayama D, Terasaka N, Kato K, Okazaki S, Suga H.   +4 more
europepmc   +1 more source

<i>De Novo</i> Drug Design, Synthesis, Biological Evaluation, and Structural Examination of Novel Coumarin-Based Pyrimidine Co-Drugs Accompanied by Molecular Docking and DFT Studies. [PDF]

ACS Omega
Naz N, Nazli ZI, Parveen S, Shafiq N.
europepmc   +1 more source

Structure-based identification of novel FAK1 inhibitors using pharmacophore modeling, molecular dynamics, and MM/PBSA calculations. [PDF]

Sci Rep
Hajipasha A, Cherati NG, Darzi M, Nateghi SS, Mohsenian SAS, Noorzaei M, Dinaki FK, Halimi M.   +7 more
europepmc   +1 more source

Streptomyces koyangensis L-asparaginase: computational prediction of dual-mechanism BCL-2 interaction in acute lymphoblastic leukemia. [PDF]

Sci Rep
Solanki G, Prajapati C, Gadhvi R, Kamble L, Sharma MC, Hajare ST.   +5 more
europepmc   +1 more source

Targeting Ubiquitin-Specific Protease 7 (USP7): A Pharmacophore-Guided Drug Repurposing and Physics-Based Molecular Simulation Study. [PDF]

ACS Omega
Kanan D, Kanan T, Dogan B, Erol I, Durdağı S.   +4 more
europepmc   +1 more source

Computational identification of novel SIRT4 inhibitors for diabetic nephropathy using pharmacophore modeling, molecular simulations, and DFT calculations. [PDF]

PLoS One
He W, Chen J.
europepmc   +1 more source