Results 41 to 50 of about 351,052 (293)

Non-conventional interactions of N3 inhibitor with the main protease of SARS-CoV and SARS-CoV-2

open access: yesComputational and Structural Biotechnology Journal, 2021
The extensive spread of COVID-19 in every continent shows that SARS-CoV-2 virus has a higher transmission rate than SARS-CoV virus which emerged in 2002. This results in a global pandemic that is difficult to control.
Ponciano García-Gutiérrez   +5 more
doaj   +1 more source

Reinforced molecular recognition as an alternative to rigid receptors [PDF]

open access: yes, 2006
In theory, a perfectly rigid receptor will probably be an unbeatable binder. However, rigidity may not be easy to achieve in practice and it is certainly not Nature’s method to realise high affinity. In many proteins binding affinity is increased through
Otto, Sijbren,
core   +1 more source

Carbon nanotube decorated magnetic microspheres as an affinity matrix for biomolecules [PDF]

open access: yes, 2013
Carbon nanotube (CNT) decorated magnetic microspheres were fabricated to develop a multimodal platform that utilizes non-covalent molecular interactions of CNTs to magnetically separate biomolecules.
Kolkar Mohammed, Javed Hussain Niazi   +1 more
core   +1 more source

Supramolecular reactivity in the gas phase: investigating the intrinsic properties of non-covalent complexes [PDF]

open access: yes, 2014
The high vacuum inside a mass spectrometer offers unique conditions to broaden our view on the reactivity of supramolecules. Because dynamic exchange processes between complexes are efficiently suppressed, the intrinsic and intramolecular reactivity of ...
Cera, Luca, Schalley, Christoph A.
core   +1 more source

Extra contribution to the crystal stability of insensitive explosive TATB: The cooperativity of intermolecular interactions

open access: yesDefence Technology, 2023
An in-depth analysis on the cooperativity of intermolecular interactions including hydrogen bonding and π-π stacking in 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) crystal was studied.
Zhi-xiang Zhang   +7 more
doaj   +1 more source

Controlling the Decoration of the Reduced Graphene Oxide Surface with Pyrene-Functionalized Gold Nanoparticles [PDF]

open access: yes, 2017
We exploited a non‐covalent approach based on π‐stacking interactions to address the formation of hybrids between pyrene‐functionalized gold nanoparticles (PyAuNPs) and reduced graphene oxide (RGO), in which the former are distributed homogeneously on
Abdolhosseinzadeh   +40 more
core   +2 more sources

Polyoxotungstates in Molecular Boxes of Purine Bases

open access: yesCrystals, 2014
Three new compounds, (GuaH)4[W10O32](H2O)4 (1), (ThbH)3(H3O)[(W10O32](H2O)7.5 (2) and (ThbH)2[W6O19](H2O)2 (3) (GuaH = guaninium, thbH = theobrominium) were synthesized in acidified acetonitrile solutions.
Vladislav Kulikov, Gerd Meyer
doaj   +1 more source

Real space bond orders are energetic descriptors [PDF]

open access: yes, 2018
We thank the Spanish MINECO/FEDER, grant CTQ2015-65790-P, and the FICyT, grant GRUPIN14 ...
Francisco Miguélez, Evelio   +1 more
core   +2 more sources

Changes in advanced protein structure during dense phase carbon dioxide induced gel formation in golden pompano surimi correlate with gel strength

open access: yesFrontiers in Sustainable Food Systems, 2023
Changes in protein structure are closely related to gel strength. Dense phase carbon dioxide (DPCD) treatment is an excellent non-thermal food processing method that can be used to induce gel formation in surimi.
Weiwen Duan   +11 more
doaj   +1 more source

Extension of the B3LYP - Dispersion-Correcting Potential Approach to the Accurate Treatment of both Inter- and Intramolecular Interactions

open access: yes, 2013
We recently showed that dispersion-correcting potentials (DCPs), atom-centered Gaussian-type functions developed for use with B3LYP (J. Phys. Chem. Lett.
DiLabio, Gino A.   +2 more
core   +1 more source

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