Results 101 to 110 of about 1,337,527 (315)

Simulating STM transport in alkanes from first principles

, 2009
Simulations of scanning tunneling microscopy measurements for molecules on surfaces are traditionally based on a perturbative approach, most typically employing the Tersoff-Hamann method.
C. Toher, I. Rungger, S. Datta, S. Sanvito   +3 more
core   +1 more source

Single‐molecule DNA flow‐stretch assays for high‐throughput DNA–protein interaction studies

FEBS Open Bio, EarlyView.
We describe an optimised single‐molecule DNA flow‐stretch assay that visualises DNA–protein interactions in real time. Linear DNA fragments are tethered to a surface and stretched by buffer flow for fluorescence imaging. Using λ and φX174 DNA, this protocol enhances reproducibility and accessibility, providing a versatile approach for studying diverse ...
Ayush Kumar Ganguli, Mohammad Nour Alsamsam, Ugnė Bagdonaitė, Van Truc Vu, Chun‐Jen Huang, Polina Kuzhir, Mindaugas Zaremba, Aurimas Kopūstas, Marijonas Tutkus   +8 more
wiley   +1 more source

Chameleon sequences reveal structural effects in proteins representing micelle‐like distribution of hydrophobicity

FEBS Open Bio, EarlyView.
Amino acids sequence of two different proteins with the same sequence (chameleon sequence—black boxes) represent in 3D structure of the proteins different secondary structures: HHHH—helical and BBB—Beta‐structural. The chains folded in water environment adopt different III‐order structures in which the chameleon fragments appear to adopt similar status
Irena Roterman, Katarzyna Stapor, Leszek Konieczny, Krzysztof Gądek, Piotr Nowakowski   +4 more
wiley   +1 more source

First-Principles Based Matrix-Green's Function Approach to Molecular Electronic Devices: General Formalism

, 2001
Transport in molecular electronic devices is different from that in semiconductor mesoscopic devices in two important aspects: (1) the effect of the electronic structure and (2) the effect of the interface to the external contact. A rigorous treatment of
Albright, Andersen, Aulbur, Aviram, Baerends, Bormet, Brivio, Büttiker, Büttiker, Caroli, Chelikowsky, Chen, Collier, Danielewicz, Datta, Datta, Dederichs, Dekker, Di Ventra, Dorogi, Dreizler, Elstner, Emberley, Emberley, Feibelman, Feibelman, Ferrante, Ferry, Feynman, Frisch, Gimzewski, Goldhaber-Gordon, Goringe, Gross, Gunnarson, Hall, Haug, Hedin, Hershfield, Hirose, Hoffmann, Hoffmann, Joachim, Joachim, Joachim, Jones, Kadanoff, Keldysh, Kruger, Lake, Landauer, Lang, Lang, Lang, Lang, Lang, Lang, Langreth, Larade, Lundstrom, Lyo, Magoga, Mark A. Ratner, McWeeny, Meir, Meir, Metzger, Mujica, Mujica, Ness, Nitzan, Parr, Perdew, Petrov, Pople, Porath, Reed, Reed, Saito, Scheffler, Stowasser, Supriyo Datta, Tans, Taylor, Tian, Trioni, Wachutkal, Wan, Williams, Wilson, Xue, Xue, Xue, Yaliraki, Yongqiang Xue, Zeller   +95 more
core   +1 more source

Electronic Peculiarities of a Self-Assembled M₁₂L₂₄ Nanoball (M = Pd⁺², Cr, or Mo)

Molecules, 2019
We use molecular mechanics and DFT calculations to analyze the particular electronic behavior of a giant nanoball. This nanoball is a self-assembled M12L24 nanoball; with M equal to Pd+2; Cr; and Mo. These systems present an extraordinarily large cavity;
Roxana Mitzayé del Castillo, Roberto Salcedo, Ana Martínez, Estrella Ramos, Luis Enrique Sansores   +4 more
doaj   +1 more source

Exon 7 splicing of ERα predicts poor prognosis and increases phenotypic heterogeneity in luminal a subtype breast cancer

FEBS Open Bio, EarlyView.
ERα splice variant ERα∆7 lacks the C‐terminus, and its expression may change phenotypes of breast cancers. Our results showed that ERα∆7 is found in the luminal A subtype, and elevated ERα∆7 levels are linked to improved cell survival with lower proliferation and migration.
Long Wai Tsui, Taobo Hu, Thomson Christian Husein, Wai Hei Shek, Bingrong Chen, Depeng Wang, Shu Wang, Weichuan Yu, Xiaodan Fan, Mengping Long, Toyotaka Ishibashi   +10 more
wiley   +1 more source

Large tunable image-charge effects in single-molecule junctions

, 2013
The characteristics of molecular electronic devices are critically determined by metal-organic interfaces, which influence the arrangement of the orbital levels that participate in charge transport.
Dulić, D., Eelkema, R., Martin, C. A., Perrin, M. L., Shaikh, A. J., Thijssen, J. M., van der Zant, H. S. J., van Esch, J. H., van Ruitenbeek, J. M., Verzijl, C. J. O.   +9 more
core   +2 more sources

EVALUATION OF FERROCENYLMETHYLNUCLEOBASES DERIVATIVES INTERACTING WITH DNA: INSIGHTS FROM ELECTROCHEMICAL, SPECTROSCOPIC, DFT CALCULATION, MOLECULAR DOCKING AND MOLECULAR DYNAMIC SIMULATIONS

Studia Universitatis Babes-Bolyai Chemia
This study investigates the binding of ferrocenylmethyl nucleobase derivatives to DNA through electrostatic interactions, employing a combination of experimental and theoretical approaches to elucidate binding mechanisms and explore their potential for ...
Mohammed Larbi Ben AMOR, Elhafnaoui LANEZ, Yahia BEKKAR, Aicha ADAIKA, Touhami LANEZ, Kaouther NESBA, Lazhar BECHKI   +6 more
doaj   +1 more source

Exploring the Co-Crystallization Landscape of One-Dimensional Coordination Polymers Using a Molecular Electrostatic Potential-Driven Approach. [PDF]

Cryst Growth Des, 2023
Mišura O, Kodrin I, Borovina M, Pisačić M, De Silva V, Aakeröy CB, Đaković M.   +6 more
europepmc   +1 more source

Screening and epitope characterization of Nidogen‐2‐specific nanobodies

FEBS Open Bio, EarlyView.
Camel immunization and phage display were employed to generate high‐affinity VHH nanobodies against Nidogen‐2. After library construction, biopanning, ELISA screening, sequencing, and recombinant expression, selected nanobodies were purified and characterized, leading to the preliminary exploration of a nanobody‐based sandwich ELISA for specific ...
Jianchuan Wen, Qianqian Cui, Zhongyun Lan, Yingjun Wang, Shuaiying Zhao, Wenxuan Feng, Yunfeng Liu, Qiting Huang, Dongna Zhang, Jianfeng Xu   +9 more
wiley   +1 more source