Cisplatin in cancer therapy: molecular mechanisms of action
S Dasari, PB Tchounwou - European journal of pharmacology, 2014 - Elsevier
Cisplatin, cisplatinum, or cis-diamminedichloroplatinum (II), is a well-known
chemotherapeutic drug. It has been used for treatment of numerous human cancers …
chemotherapeutic drug. It has been used for treatment of numerous human cancers …
Single-molecule techniques in biophysics: a review of the progress in methods and applications
H Miller, Z Zhou, J Shepherd… - Reports on Progress …, 2017 - iopscience.iop.org
Single-molecule biophysics has transformed our understanding of biology, but also of the
physics of life. More exotic than simple soft matter, biomatter lives far from thermal …
physics of life. More exotic than simple soft matter, biomatter lives far from thermal …
Identifying the key obstacle in photocatalytic oxygen evolution on rutile TiO2
As the bottleneck in photocatalytic water splitting, the oxygen evolution reaction (OER) has
drawn huge attention, but its efficiency still falls short of expectations. A widely accepted …
drawn huge attention, but its efficiency still falls short of expectations. A widely accepted …
Understanding the role of axial O in CO 2 electroreduction on NiN 4 single-atom catalysts via simulations in realistic electrochemical environment
Electrochemical CO2 reduction reaction (CO2RR) is a very important approach to realize
sustainable development. Single-atom catalysts show advantages in both homogeneous …
sustainable development. Single-atom catalysts show advantages in both homogeneous …
Drug design in the exascale era: a perspective from massively parallel QM/MM simulations
B Raghavan, M Paulikat, K Ahmad… - Journal of chemical …, 2023 - ACS Publications
The initial phases of drug discovery–in silico drug design–could benefit from first principle
Quantum Mechanics/Molecular Mechanics (QM/MM) molecular dynamics (MD) simulations …
Quantum Mechanics/Molecular Mechanics (QM/MM) molecular dynamics (MD) simulations …
Theoretical study of cisplatin binding to purine bases: why does cisplatin prefer guanine over adenine?
MH Baik, RA Friesner, SJ Lippard - Journal of the American …, 2003 - ACS Publications
The thermodynamics and kinetics for the monofunctional binding of the antitumor drug
cisplatin, cis-diamminedichloroplatinum (II), to a purine base site of DNA were studied …
cisplatin, cis-diamminedichloroplatinum (II), to a purine base site of DNA were studied …
Hydrolysis theory for cisplatin and its analogues based on density functional studies
Hydrolysis of cisplatin, the most widely used anticancer drug in the world, is believed to be
the key activation step before the drug reaching its intracellular target DNA. To obtain an …
the key activation step before the drug reaching its intracellular target DNA. To obtain an …
DNA as a selective metallization template
The microscopic mechanism of platinum cluster nucleation on DNA templates is studied by
first-principle molecular dynamics simulations. We find that Pt (II) complexes bound to DNA …
first-principle molecular dynamics simulations. We find that Pt (II) complexes bound to DNA …
Ab initio molecular dynamics computation of the infrared spectrum of aqueous uracil
MP Gaigeot, M Sprik - The Journal of Physical Chemistry B, 2003 - ACS Publications
Recent progress in the development of ab initio molecular dynamics methods for the
computation of infrared absorption spectra in condensed molecular systems is reviewed and …
computation of infrared absorption spectra in condensed molecular systems is reviewed and …
Review of comparative studies of cytotoxic activities of Pt (II), Pd (II), Ru (II)/(III) and Au (III) complexes, their kinetics of ligand substitution reactions and DNA/BSA …
New concepts and various strategies are being explored to improve the cytotoxicity of metal-
based complexes. One of those strategies is to fine-tune the substitution kinetics of metallo …
based complexes. One of those strategies is to fine-tune the substitution kinetics of metallo …