Results 121 to 130 of about 9,026,292 (300)

Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes

FEBS Open Bio, EarlyView.
Group A Streptococcus (GAS) acquires covRS mutations driving a hypervirulent bacterial state, frequently associated with invasive disease‐like necrotizing fasciitis. We demonstrate that the newly emerged M1UK GAS lineage can also acquire these mutations.
Jarrad Pritchard, Emma‐Jayne Proctor, Jiawa Wang, Nikolas P. Johnston, Andrew Hayes, Georgia McCorkell, Haibo Yu, Jai Tree, Mark R. Davies, Mark J. Walker, Ronald Sluyter, Stephan Brouwer, Martina L. Sanderson‐Smith   +12 more
wiley   +1 more source

SOLVATION FREE ENERY OF THIENO [3, 2 - b] PYRIMIDINE ANALOGS COMPRISING INTERMOLECULAR SOLVATION AND INTRAMOLECULAR SELF-SOLVATION

, 2014
  Objective: The aim was to estimate the various physiochemical properties of a molecule and the de-solvation cost for its binding to macromolecular receptors, the solvation free energy is a fundamental thermodynamics that has to be used.
K, Prabhu, Mahto, Manoj Kumar, VK, GOPALAKRISHNAN   +2 more
core  

Decomposition of the Solvation Free Energies of Deoxyribonucleoside Triphosphates Using the Free Energy Perturbation Method

, 2016
Free energy perturbation (FEP) calculations using the Amber 95 force field and the TIP3P water model were carried out to evaluate the solvation free energy of deoxyribonucleoside triphosphates in aqueous solution.
Jan Florián (2458072), Václav Martínek (2509975), Urban Bren (673176)   +2 more
core   +1 more source

Impact of non-covalent interactions on the solvation of ovalbumin in an aqueous environment of different pHs: Thermodynamic and diffusion studies

Heliyon
The solvation behavior of protein is an important factor in protein-based food products. In the present study, the xylitol (XY) - ovalbumin (OVN) interaction in an aqueous solution of different pH conditions is analyzed in two methods. In one method, the
Swenthira K, Agalya P, Sasikumar P, Thafasalijyas Vayalpurayil, Mohamed Abbas, Velusamy V   +5 more
doaj   +1 more source

Effect of terahertz irradiation on DNA damage repair in living cells

FEBS Open Bio, EarlyView.
We investigated the effect of terahertz (THz) wave irradiation on DNA double‐strand break (DSB) repair in living cells. We found that THz irradiation enhanced DSB repair at specific frequencies, whereas heat treatment inhibited it, indicating that this effect is nonthermal and frequency‐specific.
Yuya Ueno, Shota Yamazaki, Hiromichi Hoshina, Masahiko Harata   +3 more
wiley   +1 more source

Theoretical Study on Solubility from Pt Electrocatalyst and Reactivity in Electrolyte Environment of Pt Complex in PEFC

International Journal of Electrochemistry, 2012
We theoretically analyzed the formation energy and solvation free energy of Pt(II) and Pt(IV) complexes with three types of ligands (H2O, OH−, and CF3SO3 −) in electrolyte environment under the low- and high-humidity conditions to study the Pt ...
Takayoshi Ishimoto, Michihisa Koyama
doaj   +1 more source

Importin 7 mediates the nuclear import of HIV‐1 integrase via a specific interacting interface

FEBS Open Bio, EarlyView.
HIV‐1 integrase enables viral DNA integration into the host genome. By binding to the core domain of the host protein Importin 7 via its C‐terminal domain, the integrase is transported across the nuclear membrane into the nucleus, where integration of the viral genome into host DNA takes place. This translocation is a critical step for subsequent viral
Juana Bana, Avigail Yariv, Tal Oppenheim, Hadar Amartely, Dana Reichmann, Oded Livnah   +5 more
wiley   +1 more source

Ab Initio free Energy Perturbation Calculations of Solvation Free Energy Using Frozen Density Functional Approach

, 1994
Ab initio free energy perturbation calculations of solvation free energies are performed using the recently developed frozen density functional method. This method treats the solute-solvent system as a supermolecule in the density functional formulation ...
Wesolowski, Tomasz Adam, Warshel, Arieh
core   +1 more source

Ionomycin suppresses cancer cell growth by disrupting mitochondrial transcription

FEBS Open Bio, EarlyView.
In this study, we identify a new function for the selective Ca2+ ionophore, ionomycin, as an inhibitor of mitochondrial transcription. Both total and nascent RNA analyses revealed that ionomycin treatment reduces the transcription of mitochondrial genes.
Lishen Wang, Mingqiang Deng, Dongmei He, Diqin Lai, Dongjun Liu, Dengyong Zhu, Zhenhua Zhang, Peng Tang, Chuanman Zhou, Menghui Yin, Xichen Bao   +10 more
wiley   +1 more source

Variational approach for nonpolar solvation analysis

, 2012
Solvation analysis is one of the most important tasks in chemical and biological modeling. Implicit solvent models are some of the most popular approaches.
Bates, Peter W., Peter W. Bates, Chun, Jaehun, Dennis G. Thomas, Thomas, Dennis G., Zhan Chen, G. W. Wei, Jaehun Chun, Chen, Zhan, Shan Zhao, Zhao, Shan, Baker, Nathan A., Nathan A. Baker, Wei, G. W.   +13 more
core   +1 more source