Results 161 to 170 of about 22,717 (244)

An Integrative Computational Pipeline for CK2 Inhibitor Discovery in Triple-Negative Breast Cancer Using Virtual Screening, Molecular Dynamics, Machine Learning, and Density Functional Theory. [PDF]

Pharmaceuticals (Basel)
Khan A, Alshabrmi FM, Mohammad A, Shkoor M, Al-Zoubi RM, Ming LC, Agouni A.   +6 more
europepmc   +1 more source

Accelerating Electrolyte Discovery Using Generative Models and Molecular Dynamics Simulations. [PDF]

ACS Omega
Deerattrakul V, Duangdangchote S, Boonchun A, Iamprasertkun P.   +3 more
europepmc   +1 more source

Prop-2-enyl 6-amino-5-cyano-4-(4-iso-propylphen-yl)-2-methyl-4<i>H</i>-pyran-3-carboxyl-ate. [PDF]

IUCrdata
Kumar CU, Krishnan GA, Rani PJ, Pillai MV, Mohandas T.   +4 more
europepmc   +1 more source

Triphenylmethyl Group as a Highly Diastereoselective <i>exo</i>,<i>endo</i>-Auxiliary in Double Diels-Alder Reactions with 2<i>H</i>-Pyran-2-ones. [PDF]

Molecules
Krivec M, Štirn Ž, Kočevar M, Kranjc K.   +3 more
europepmc   +1 more source

Investigating the Protonated Cannabinoid Dimer Detected in the Forensic Analysis of <i>Cannabis</i> by DART-MS: A Combined Mass Spectrometry and Computational Study. [PDF]

J Am Soc Mass Spectrom
Arathala P, Garosi B, Chambers MI, Cody RB, Musah RA.   +4 more
europepmc   +1 more source

A Theoretical Prediction of the Antioxidant and Electronic Properties of Epicatechin, Procyanidin B2, Procyanidin, C1 and Cinnamtannin A2. [PDF]

Molecules
Karwowski BT.
europepmc   +1 more source

Volatile Organic Compound Profile Changes in <i>Lentinula edodes</i> Pileus Following <i>Trichoderma atroviride</i> Inoculation. [PDF]

J Fungi (Basel)
Yu DR, Min KG, Park TM, Park YJ, Jang MJ.   +4 more
europepmc   +1 more source

Design and Synthesis of Novel Morpholine-Derived Nitrogen-Rich Scaffolds as Multifunctional Anticancer and Antibacterial Agents: Biological Evaluation and Computational Studies. [PDF]

Pharmaceutics
El-Hema HS, Adel E, El-Dougdoug WI, Wasfy AAF, El-Sayed AF, Nossier ES, Hussein MF, Binsuwaidan R, Saleh A, Abdel-Rahmanh AA.   +9 more
europepmc   +1 more source

Lipophilic Ligand Efficiency-Monitored Discovery of Potent, Achiral, and Bioavailable Apo-IDO1 Inhibitors. [PDF]

ACS Med Chem Lett
Kazmierski WM, Miriyala N, De la Rosa M, Miller J, Gentry ZO, Samano V, Catalano J, Chong PY, Wang F, Price DJ, Basilla J, Mebrahtu M, Wang L, Shewchuk L, Matico R, Dunham R.   +15 more
europepmc   +1 more source