Results 41 to 50 of about 291,728 (311)
Theoretical Studies on the Role of Guest in α-CL-20/Guest Crystals
Molecules, 2022 The contradiction between energy and safety of explosives is better balanced by the host–guest inclusion strategy. To deeply analyze the role of small guest molecules in the host–guest system, we first investigated the intermolecular contacts of host and
Mingming Zhou, Caichao Ye, Dong Xiang
doaj +1 more source
Counting equilibria of the electrostatic potential
Proceedings of the London Mathematical SocietyAbstract In 1873, James C. Maxwell conjectured that the electric field generated by point charges in generic position has at most isolated zeroes. The first (nonoptimal) upper bound was only obtained in 2007 by Gabrielov, Novikov, and Shapiro, who also posed two additional interesting conjectures.
Herbert Edelsbrunner +2 more
openaire +2 more sources
Implications of electrostatic potentials on ribosomal proteins [PDF]
Nucleic Acids Research, 1976 Potentiometric studies of ribosomal particles 30S, 50S, and 70S, were designed to investigate possible implications of the electrostatic potentials developed by the 16S and 23S rRNA fractions. Release of protons and proton titrations of these ribosomal fractions were examined as a function of Mg2+ and K+ concentrations. The effects of these cations fit
J S, Kliber +4 more
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The theory of electrostatic potential in superconductors [PDF]
, 2004 The problem of electrostatic potential distribution in superconductors is studied based on the microscopic theory of superconductors. Local chemical potential of the superconductor is introduced, and an approximation is made to BG theory, which is ...
Jin, XY +3 more
core +1 more source
Proteins CTDs electrostatic potential map. [PDF]
, 2020 Alphaproteobacteria and Deltaproteobacteria MamB and MamM CTDs crystal structures, electrostatic potential maps based on the PDB codes: 3HO5, 3W5Y, 6QFJ, and 6QEK.
Raz Zarivach (166532) +5 more
core +1 more source
VirusesPPV5 NS1 is a nonstructural and multifunctional protein comprising helicase and nuclease domains. The helicase domain contains conserved motifs from superfamily 3 helicases, including Walker A, Walker B, Motif B’, Motif C, and Box VII, whereas the ...
Diana Michele Araiza-Hernández +6 more
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Molecules, 2021 The chalcogen bond (ChB) is a noncovalent interaction based on electrophilic features of regions of electron charge density depletion (σ-holes) located on bound atoms of group VI.
Paola Peluso +10 more
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Reciprocal control of viral infection and phosphoinositide dynamics
FEBS Letters, EarlyView.Phosphoinositides, although scarce, regulate key cellular processes, including membrane dynamics and signaling. Viruses exploit these lipids to support their entry, replication, assembly, and egress. The central role of phosphoinositides in infection highlights phosphoinositide metabolism as a promising antiviral target.
Marie Déborah Bancilhon, Bruno Mesmin
wiley +1 more source
Analytic gradients for the electrostatic embedding QM/MM in periodic boundary conditions using particle-mesh Ewald sums and electrostatic potential fitted charge operators [PDF]
Long-range electrostatic effects are fundamental for describing chemical reactivity in the condensed phase. Here, we present the methodology of an efficient quantum mechanical/molecular mechanical (QM/MM) model in periodic boundary conditions (PBC ...
Simone, Bonfrate +2 more
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Electrostatic surface potential map. [PDF]
, 2013 Front view and back view of surface electrostatic potential map for the snapshots shown in Figure 3. Where, blue, red and white represent positive, negative and hydrophobic electrostatic potential, respectively.
Magdi H. Yacoub (75834) +6 more
core +1 more source