Results 21 to 30 of about 256,202 (345)
Islands of conformational stability for Filopodia [PDF]
, 2013 Filopodia are long, thin protrusions formed when bundles of fibers grow outwardly from a cell surface while remaining closed in a membrane tube.
A Mogilner +21 more
core +2 more sources
Beilstein Journal of Organic Chemistry, 2011 A broad perspective of various factors influencing alkene selenenylation has been developed by concurrent detailed analysis of key experimental and theoretical data, such as asymmetric induction, stereochemistry, relative reactivities, and comparison ...
Vadim A. Soloshonok, Donna J. Nelson
doaj +1 more source
Density Functional Studies on Secondary Amides: Role of Steric Factors in Cis/Trans Isomerization
Molecules, 2018 Cis/trans isomerization of amide bonds is a key step in a wide range of biological and synthetic processes. Occurring through C-N amide bond rotation, it also coincides with the activation of amides in enzymatic hydrolysis.
Balmukund S. Thakkar +2 more
doaj +1 more source
Analytical interfacial layer model for the capacitance and electrokinetics of charged aqueous interfaces [PDF]
, 2018 We construct an analytical model to account for the influence of the subnanometer-wide interfacial layer on the differential capacitance and the electro-osmotic mobility of solid–electrolyte interfaces.
Bonthuis, Douwe Jan +2 more
core +2 more sources
Bi-steric mTORC1 inhibitors induce apoptotic cell death in tumor models with hyperactivated mTORC1
The Journal of Clinical Investigation, 2023 The PI3K/AKT/mTOR pathway is commonly dysregulated in cancer. Rapalogs exhibit modest clinical benefit, likely owing to their lack of effects on 4EBP1. We hypothesized that bi-steric mTORC1-selective inhibitors would have greater potential for clinical ...
Heng Du +8 more
doaj +1 more source
ChemistryOpen, 2019 A computational analysis of a series of cationic and neutral gold imidazolylidene and benzimidizolylidene complexes is reported. The Bond Dissociation Energies of the various ligands in the complexes calculated at the PBE0‐D3/def2‐TZVP level of theory ...
Sunel de Kock +2 more
doaj +1 more source
Molecules, 2023 A density functional theory (DFT) study combined with the steric maps of buried volume (%VBur) as molecular descriptors and an energy decomposition analysis through the ASM (activation strain model)–NEDA (natural energy decomposition analysis) approach ...
Olga D’Anania +2 more
doaj +1 more source
Multiple solutions of steady-state Poisson-Nernst-Planck equations with steric effects
, 2014 Experiments measuring currents through single protein channels show unstable currents. Channels switch between 'open' or 'closed' states in a spontaneous stochastic process called gating.
Eisenberg, Bob, Lin, Tai-Chia
core +1 more source
Analysis of the conformational profiles of fenamates shows route towards novel, higher accuracy, force-fields for pharmaceuticals [PDF]
, 2015 In traditional molecular mechanics force fields, intramolecular non-bonded interactions are modelled as intermolecular interactions, and the form of the torsion potential is based on the conformational profiles of small organic molecules.
Galek, P, Price, SL, Uzoh, OG
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Advanced Science, 2019 For selective hydrogenation of chemicals the high selectivity is always at the expense of activity and improving both selectivity and activity is challenging.
Ruijie Gao +6 more
doaj +1 more source