Results 41 to 50 of about 346,816 (296)

Long-range repulsive interaction between TTF molecules on a metal surface induced by charge transfer

, 2007
The low-coverage adsorption of a molecular electron donor, tetrathiafulvalene, on Au(111) is characterized by the spontaneous formation of superlattice of monomers, whose spacing exceeds the equilibrium distance of non-covalent interactions and depends ...
B. Diu, I. Fernandez-Torrente, J. Fraxedas, J. Fraxedas, J. I. Pascual, K. J. Franke, N. Lorente, S. Monturet   +7 more
core   +3 more sources

Surface Plasmon Resonance kinetic analysis of the interaction between G-quadruplex nucleic acids and an anti-G-quadruplex monoclonal antibody [PDF]

, 2018
Background G-quadruplexes (G4s) are nucleic acids secondary structures formed in guanine-rich sequences. Anti-G4 antibodies represent a tool for the direct investigation of G4s in cells.
Lago, Sara, Nadai, Matteo, Richter, Sara N, Rossetto, Monica   +3 more
core   +1 more source

Structural instability impairs function of the UDP‐xylose synthase 1 Ile181Asn variant associated with short‐stature genetic syndrome in humans

FEBS Letters, EarlyView.
The Ile181Asn variant of human UDP‐xylose synthase (hUXS1), associated with a short‐stature genetic syndrome, has previously been reported as inactive. Our findings demonstrate that Ile181Asn‐hUXS1 retains catalytic activity similar to the wild‐type but exhibits reduced stability, a looser oligomeric state, and an increased tendency to precipitate ...
Tuo Li, Pedro A. Sánchez‐Murcia, Bernd Nidetzky   +2 more
wiley   +1 more source

Molecular Recognition of SARS-CoV-2 Mpro Inhibitors: Insights from Cheminformatics and Quantum Chemistry

Molecules
The SARS-CoV-2 main protease (Mpro), essential for viral replication, remains a prime target for antiviral drug design against COVID-19 and related coronaviruses.
Adedapo Olosunde, Xiche Hu
doaj   +1 more source

Electronic structure, phase stability and chemical bonding in Th$_2$Al and Th$_2$AlH$_4$ [PDF]

, 2001
We present the results of theoretical investigation on the electronic structure, bonding nature and ground state properties of Th$_2$Al and Th$_2$AlH$_4$ using generalized-gradient-corrected first-principles full-potential density-functional calculations.
A. Chikdene, A. Kjekshus, A. Pasturel, A. Skjeltorp, B.K. Rao, B.S. Bowerman, C. Ravi, C. Switendick, D. Singh, D.C. Patton, D.G. Westlake, E.E. Havinga, F. Bonhomme, F. Boucher, H. Fjellvåg, H. Nakamura, H.H. Van Mal, J. Bergsma, J. Osterwalder, J.C. Phillips, J.H. Xu, J.J. Murray, J.P. Perdew, J.P. Perdew, K. Knox, M.H. Sørby, M.M. Elcombe, O.K. Andersen, O.K. Andersen, P. Ravindran, P. Ravindran, P. Ravindran, P. Vajeeston, P. Vajeeston, P. Vinet, P.E. Blochl, R. Dronskowski, R. Vidya, S.C. Abrahams, V.A. Yartys, V.L. Moruzzi, W.N. Hubbard   +41 more
core   +1 more source

Cell wall target fragment discovery using a low‐cost, minimal fragment library

FEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan, Mathew Stanley, Olawale Raimi, Andrew T. Ferenbach, Helge C Dorfmueller, Daan M. F. van Aalten   +5 more
wiley   +1 more source

Effects of Non-covalent/Covalent Interactions on Functional Properties and Stability of Gelatin-PCA Complexes

Shipin gongye ke-ji
To investigate the effect of the interaction between protocatechuic acid (PCA) and gelatin on the functional properties and stability of gelatin-PCA complexes. Gelatin-PCA complexes were prepared by non-covalent and covalent binding.
Ran LIU, Qinghua ZENG, Shuang CHENG, Jingyu LI, Xiaohong PAN, Lei WANG   +5 more
doaj   +1 more source

Preventing disulfide bond formation weakens non-covalent forces among lysozyme aggregates. [PDF]

PLoS ONE, 2014
Nonnative disulfide bonds have been observed among protein aggregates in several diseases like amyotrophic lateral sclerosis, cataract and so on. The molecular mechanism by which formation of such bonds promotes protein aggregation is poorly understood ...
Vijay Kumar Ravi, Mohit Goel, Hema Chandra Kotamarthi, Sri Rama Koti Ainavarapu, Rajaram Swaminathan   +4 more
doaj   +1 more source

Halogen Bonding in Haspin-Halogenated Tubercidin Complexes: Molecular Dynamics and Quantum Chemical Calculations

Molecules, 2022
Haspin, an atypical serine/threonine protein kinase, is a potential target for cancer therapy. 5-iodotubercidin (5-iTU), an adenosine derivative, has been identified as a potent Haspin inhibitor in vitro.
Yujing Zhou, Ming Wah Wong
doaj   +1 more source

Some Interesting Features of Non-Covalent Interactions

Croatica Chemica Acta, 2014
Interactions between closed-shell systems exhibit some common features, four of which are particularly strong for beryllium bonds: geometrical distortion, cooperativity, changes in intrinsic reactivity and changes in the magnetic properties of the interacting subunits, which reflect the perturbations of their electron densities through polarization ...
Martín-Sómer, Ana, Montero-Campillo, M. Merced, Mó, Otilia, Yáñez, Manuel, Alkorta, Ibon, Elguero, José   +5 more
openaire   +4 more sources