Results 131 to 140 of about 551,409 (217)

Exploration of Agonist and Antagonist Binding Sites within the Cytosolic AHR Complex Using Molecular Modeling. [PDF]

ACS Omega
Karabogdan I, Yanqui-Rivera F, Sayeeram D, Sadik A, Miller AK, Trump S, Röhrig UF, Opitz CA.   +7 more
europepmc   +1 more source

Molecular Modeling and Dynamics of a Complete Connexin-43 Gap Junction Channel in Various Phosphorylation States. [PDF]

J Phys Chem B
Gao Y, Zuo J, Falk MM, Im W.
europepmc   +1 more source

Glycosyl Coumarins as Selective Inhibitors of Tumor-Associated Carbonic Anhydrase IX and XII: Synthesis, Structure-Activity Relationships, and Molecular Modeling. [PDF]

Int J Mol Sci
Le Pors MS, Aznar I, Giovannuzzi S, Supuran CT, Lavecchia MJ, Colinas PA.   +5 more
europepmc   +1 more source

Identification of a Quinolone-Based Scaffold as a Dual SARS-COV-2 PLᵖʳᵒ and Mᵖʳᵒ Inhibitor: An Integrated Molecular Modeling and In-vitro Evaluation Approach. [PDF]

Drug Des Devel Ther
Atatreh N, Bustanji L, Ferreira JC, Rabeh WM, Mahgoub RE, Ghattas MA.   +5 more
europepmc   +1 more source

Novel Activators of the Transcription Factor PPARγ for Beef Quality through Molecular Modeling. [PDF]

ACS Omega
Nogueira AG, Mancini DT, Santos TMR, Ramalho TC.   +3 more
europepmc   +1 more source

The <i>Nitro-Chloro</i> Substitution on Two Quinolinone-Chalcones: From Molecular Modeling to Antioxidant Potential. [PDF]

ACS Omega
de Paula RLG, Duarte VS, D'Oliveira GDC, C de Castro MR, Pérez CN, Custódio JMF, Oliver AG, Napolitano HB.   +7 more
europepmc   +1 more source

Molecular Modeling and Molecular Dynamics Simulation of a Packed and Intact Bacterial Microcompartment. [PDF]

J Phys Chem B
Raza S, Yadav NS, Jussupow A, Kerfeld CA, Feig M, Vermaas JV.   +5 more
europepmc   +1 more source

Immunoinformatics and molecular modeling approaches to design a multi-epitope vaccine against Tibrovirus Congo. [PDF]

Open Med (Wars)
Naveed M, Asim M, Aziz T, Amjad S, Qadir P, Rehman HM, Khan AA, Elkhadragy MF, Shami A, Alwethaynani MS, Al-Joufi FA, Fallatah D.   +11 more
europepmc   +1 more source

SEAMM: A Simulation Environment for Atomistic and Molecular Modeling. [PDF]

J Phys Chem A
Saxe P, Nash J, Mostafanejad M, Marin-Rimoldi E, Hafiz H, Hector LG, Crawford TD.   +6 more
europepmc   +1 more source