[HTML][HTML] The ONIOM method and its applications
The fields of theoretical and computational chemistry have come a long way since their
inception in the mid-20th century. Fifty years ago, only rudimentary approximations for very …
inception in the mid-20th century. Fifty years ago, only rudimentary approximations for very …
Assessing the importance of proton transfer reactions in DNA
D Jacquemin, J Zuniga, A Requena… - Accounts of chemical …, 2014 - ACS Publications
Conspectus Although engineered by millions of years of evolution, the cellular machinery is
not flawless, and errors regularly appear during DNA replication. The subsequent alteration …
not flawless, and errors regularly appear during DNA replication. The subsequent alteration …
Bioactivity, molecular docking and anticancer behavior of pyrrolidine based Pt (II) complexes: Their kinetics, DNA and BSA binding study by spectroscopic methods
Abstract The complex [Pt (AEP) Cl 2]; C-1 (where, AEP= 1-(2-Aminoethyl) pyrrolidine) and its
hydrolyzed diaqua form cis-[Pt (AEP)(H 2 O) 2] 2+; C-2 were synthesized for their bioactivity …
hydrolyzed diaqua form cis-[Pt (AEP)(H 2 O) 2] 2+; C-2 were synthesized for their bioactivity …
Using theory to reinterpret the kinetics of monofunctional platinum anticancer drugs: stacking matters
D Veclani, A Melchior, M Tolazzi… - Journal of the …, 2018 - ACS Publications
The monofunctional platinum drug phenanthriplatin (phenPt) blocks the replication of cancer
cells even if it reacts with only one guanine base. However, there is still insufficient …
cells even if it reacts with only one guanine base. However, there is still insufficient …
Electric-field induced mutation of DNA: a theoretical investigation of the GC base pair
JP Cerón-Carrasco, D Jacquemin - Physical Chemistry Chemical …, 2013 - pubs.rsc.org
It is known that intense external electric fields affect the proton transfer (PT) reactions in
simple chemical systems, such as hydrated chlorhydric acid or formic acid dimer …
simple chemical systems, such as hydrated chlorhydric acid or formic acid dimer …
Electromagnetic bioeffects: a multiscale molecular simulation perspective
Electromagnetic bioeffects remain an enigma from both the experimental and theoretical
perspectives despite the ubiquitous presence of related technologies in contemporary life …
perspectives despite the ubiquitous presence of related technologies in contemporary life …
Development and validation of a LC–MS/MS assay for quantification of cisplatin in rat plasma and urine
Till date, no analytical method published to detect Cisplatin has been validated according to
the US Food and Drug Administration (FDA) guidance using liquid chromatography mass …
the US Food and Drug Administration (FDA) guidance using liquid chromatography mass …
The influence of external electric fields on proton transfer tautomerism in the guanine–cytosine base pair
The Watson–Crick base pair proton transfer tautomers would be widely considered as a
source of spontaneous mutations in DNA replication if not for their short lifetimes and …
source of spontaneous mutations in DNA replication if not for their short lifetimes and …
Intercalation ability of novel monofunctional platinum anticancer drugs: a key step in their biological action
D Veclani, M Tolazzi, JP Cerón-Carrasco… - Journal of Chemical …, 2021 - ACS Publications
Phenanthriplatin (PtPPH) is a monovalent platinum (II)-based complex with a large
cytotoxicity against cancer cells. Although the aqua-activated drug has been assumed to be …
cytotoxicity against cancer cells. Although the aqua-activated drug has been assumed to be …
In situ Fourier transform infrared reflection absortion spectroscopy study of adenine adsorption on gold electrodes in basic media
In situ Fourier transform infrared reflection absortion spectroscopy (FT-IRRAS) has been
used in the external (SNIFTIRS method) and the internal (ATR-SEIRAS) reflection …
used in the external (SNIFTIRS method) and the internal (ATR-SEIRAS) reflection …