Results 181 to 190 of about 481,935 (310)

Prediction of Human Skin Permeability Using a Combination of Molecular Orbital Calculations and Artificial Neural Network.

, 2002
Chee Wooi Lim, Shin‐ichi Fujiwara, Fumiyoshi Yamashita, Mitsuru Hashida   +3 more
openalex   +2 more sources

Quality of Orbit Predictions for Satellites Tracked by SLR Stations [PDF]

, 2021
Joanna Najder, Krzysztof Sośnica
openalex   +1 more source

Characterisation of the role played by ELMO1, GPR141 and the intergenic polymorphism rs918980 in Fuchs' dystrophy in the Indian population

FEBS Open Bio, EarlyView.
This study reports the upregulation of ELMO1 and GPR141 in human Fuchs' endothelial corneal dystrophy (FECD) corneal endothelium and ultraviolet A‐induced FECD mice model. A genetic association of an intergenic single nucleotide polymorphism rs918980 present between both genes is observed with FECD in the Indian population.
Susmita Sharma, Samar Kumar Basak, Sujata Das, Debasmita Pankaj Alone   +3 more
wiley   +1 more source

Prediction of Vibrational Spectra by Computational Chemistry. Ab initio Molecular Orbital Calculation of Vibrational Frequencies and infrared Intensities of Gas Phase Dichloromethane Molecules CH2Cl2, CHDCl2 and CD2Cl2.

, 2002
田辺 和俊, Tarô Matsumoto, 都築 誠二   +2 more
openalex   +2 more sources

Prediction of BeiDou Satellite Orbit Maneuvers to Improve the Reliability of Real-Time Navigation Products [PDF]

, 2021
Zhiwei Qin, Le Wang, Guanwen Huang, Qin Zhang, Xingyuan Yan, Shichao Xie, Haonan She, Fan Yue, Xiaolei Wang   +8 more
openalex   +1 more source

Mapping Hsp104 interactions using cross‐linking mass spectrometry

FEBS Open Bio, EarlyView.
This study examines how cross‐linking mass spectrometry can be utilized to analyze ATP‐induced conformational changes in Hsp104 and its interactions with substrates. We developed an analytical pipeline to distinguish between intra‐ and inter‐subunit contacts within the hexameric homo‐oligomer and discovered contacts between Hsp104 and a selected ...
Kinga Westphal, Karolina Michalska, Andrzej Joachimiak, Lukasz A. Joachimiak   +3 more
wiley   +1 more source

Enthalpies of Formation of Gas-Phase N₃, N₃^-, N₅⁺, and N₅^-from Ab Initio Molecular Orbital Theory, Stability Predictions for N₅⁺N₃^-and N₅⁺N₅^-, and Experimental Evidence for the Instability of N₅⁺N₃^-

, 2003
David A. Dixon, David Feller, Karl O. Christe, William W. Wilson, Ashwani Vij, Vandana Vij, H. Donald Brooke Jenkins, Ryan M. Olson, Mark S. Gordon   +8 more
openalex   +2 more sources

Alkane biosynthesis gene expression and its increased production in recombinant cyanobacteria

FEBS Open Bio, EarlyView.
The transcription and mRNA structures of the alkane biosynthesis genes ado/aar were analysed in the representative cyanobacteria PCC 6803 and SK1‐2‐1, which produce C17H36 and C15H32, respectively. PCC 6803 transconjugants carrying these genes showed a 1.8‐ to 2.3‐fold increase in C17H36 production.
Misato Nagao, Takato Ozaki, Hirofumi Fukuda, Yu Kanesaki, Munehiko Asayama   +4 more
wiley   +1 more source

Simple and efficient computational strategies for calculating orbital energies and pair-orbital energies from pCCD-based methods [PDF]

arXiv
We introduce affordable computational strategies for calculating orbital and pair-orbital energies in atomic and molecular systems. Our methods are based on the pair Coupled Cluster Doubles (pCCD) ansatz and its orbital-optimized variant. The computed orbital and pair-orbital energies are then subsequently used to approximate ionization potentials (IP),
arxiv  

PREDICTION OF THE ORBITAL MOTION OF AN ARTIFICIAL SATELLITE FROM RADAR MEASUREMENTS [PDF]

, 2014
A. Awad Mervat, Mahmoud M.K., Habib T.M.A., Mohamed A.H.   +3 more
openalex   +1 more source