Results 141 to 148 of about 849 (148)

Structural insights and ADMET analysis of CAFI: hydrogen bonding, molecular docking, and drug-likeness in renal function enhancers. [PDF]

BMC Chem
Divya P, Reeda VSJ, Rajkumar P, Ranchani AAJ, Shahidha R, Shahid M, Siddiqui N, Javed S.   +7 more
europepmc   +1 more source

Computational evaluation on spectroscopic (FT-IR, Raman), electronic and biological, and NLO properties of cirsilineol by DFT, ADMET, and molecular docking method

Tirth Raj Paneru, Poonam Tandon, Bhawani Datt Joshi   +2 more
openalex   +1 more source

8-Aminoquinoline derived two Schiff base platforms: Synthesis, characterization, DFT insights, corrosion inhibitor, molecular docking, and pH-dependent antibacterial study. [PDF]

Heliyon
Majumdar D, Chatterjee A, Feizi-Dehnayebi M, Kiran NS, Tuzun B, Mishra D.   +5 more
europepmc   +1 more source

Theoretical Insights into the Structural and Optical Properties of D-π-A-based Cyanostilbene Systems of α and β Variants. [PDF]

ACS Omega
Femina C, Sajith PK, Remya K, Thomas R, Solomon RV.   +4 more
europepmc   +1 more source

Synthesis, Characterizations, Hirshfeld Surface Analysis, DFT, and NLO Study of a Schiff Base Derived from Trifluoromethyl Amine. [PDF]

ACS Omega
Tahir MN, Ashfaq M, Munawar KS, Khan AU, Asghar MA, Ahamad T, Ojha SC.   +6 more
europepmc   +1 more source

Influence of acceptors on the optical nonlinearity of 5H-4-oxa-1,6,9-trithia-cyclopenta[b]-as-indacene-based chromophores with a push-pull assembly: a DFT approach. [PDF]

RSC Adv
Khalid M, Murtaza S, Gull K, Abid S, Imran M, Braga AAC.   +5 more
europepmc   +1 more source

HHH whitepaper. [PDF]

Eur Phys J C Part Fields
Abouabid H, Arhrib A, Arnold H, Azevedo D, Brigljevic V, Chen M, Diaz D, Duarte J, du Pree T, El Falaki J, Ferencek D, Ferreira PM, Fuks B, Ganguly S, Karkout O, Kolosova M, Konigsberg J, Landsberg G, Liu B, Moser B, Mühlleitner M, Papaefstathiou A, Pasechnik R, Robens T, Santos R, Sheldon B, Soyez G, Stamenkovic M, Stylianou P, Susa T, Tetlalmatzi-Xolocotzi G, Weiglein G, Zanderighi G, Zhang R.   +33 more
europepmc   +1 more source

Chromatin landscape, transcriptomic and ChIP-seq profiling of Anopheles stephensi MSQ43 cell line. [PDF]

Sci Data
Lukyanchikova V, Nuriddinov M, Khabarova A, Gridina M, Popov A, Belokopytova P, Sharakhov IV, Fishman V.   +7 more
europepmc   +1 more source