Results 121 to 130 of about 551,409 (217)

Molecular modeling of highly selective CDK1 Inhibitors based on pyrazolo-pyrimidines using 3D-QSAR, docking, and molecular dynamics simulations. [PDF]

PLoS One
Tahir MA, Chohan TA, Qayyum A, Yahya Abdullah Alzahrani A, R Alzahrani A, Ur Rehman Z, Khan A, Ashfaq K.   +7 more
europepmc   +1 more source

Of (computers and cells) mice and men: Integration of Simulations and Experiments in biomedical sciences.

, 2015
LAURINI, ERIK, POSOCCO, PAOLA, FERMEGLIA, MAURIZIO, PRICL, SABRINA   +3 more
core  

Novel indole-based scaffolds: Design, synthesis, molecular modeling, and anti-proliferative evaluation. [PDF]

BMC Chem
Mohamed-Ezzat RA, Al-Ashmawy AAK, Srour AM.   +2 more
europepmc   +1 more source

Molecular Modeling of N-Acetylglucosamine Binding to the I154R Mutant of NAGLU: Pathogenic Insights into Sanfilippo Syndrome Type B. [PDF]

Int J Mol Sci
Kannan P, Priya Nanda Kumar M, Kumar Nanda Kumar S, Vasudevan V, Kaviarasan K, Ramasamy M.   +5 more
europepmc   +1 more source

In silico identification and validation of vaccine and drug targets in Coccidioides posadasii through integrated genomic, proteomic, and molecular modeling approaches. [PDF]

Medicine (Baltimore)
Alanzi AR, Alharbi HA, Mothana RA, Parvez MK, Shahat AA.   +4 more
europepmc   +1 more source

Exploring the binding interaction of rupatadine with bovine serum albumin using multi-spectroscopic and molecular modeling approaches. [PDF]

BMC Chem
Shamiya HA, Elmansi H, El-Messery SM, Belal F.   +3 more
europepmc   +1 more source

Simulation of Neurotrophin Receptor Transmembrane Helix Interactions Reveals Active States and Distinct Signaling Mechanisms

JACS Au
Christina Athanasiou, Ainara Claveras Cabezudo, Alexandros Tsengenes, Rebecca C. Wade   +3 more
doaj   +1 more source

Multiscale Molecular Modeling to Reveal Interactions between the Atomic Force Microscopy Tip and Lipid Bilayer Stacks. [PDF]

Langmuir
Panda S, Huang Y, Liu GY, Faller R.
europepmc   +1 more source

Synthesis, characterization, biological evaluation, and molecular modeling of novel nimesulide urea derivatives as potential MetAP2 inhibitors. [PDF]

Sci Rep
Yılmaz Ö, Biliz Y, Kuloğlu E, Arancı K, Erdoğan Ö, Çevik Ö, Karahasanoğlu M, Şahin NMM, Çakır AB, Tuzcu B, Yelekçi K, Küçükgüzel ŞG.   +11 more
europepmc   +1 more source

Click chemistry of phenyl 1,2,3-triazole-2-pyridylpiperazine hybrids: synthesis, targeted anticancer activity, molecular modeling and computational studies. [PDF]

RSC Adv
El Malah T, El-Rashedy AA.
europepmc   +1 more source