Results 41 to 50 of about 4,904,917 (369)
Distinct Helical Molecular Orbitals through Conformational Lock** [PDF]
Chemistry – A European Journal, 2020 Abstract Several theoretical studies have proposed strategies to generate helical molecular orbitals (Hel‐MOs) in [ n ]cumulenes and oligoynes. While chiral even‐[ n ] cumulenes feature Hel‐MOs, odd‐[ n
Ozcelik A +11 more
openaire +4 more sources
Molecular glue CELMoD compounds are regulators of cereblon conformation
Science, 2022 Cereblon (CRBN) is a ubiquitin ligase (E3) substrate receptor protein co-opted by CRBN E3 ligase modulatory drug (CELMoD) agents that target therapeutically relevant proteins for degradation.
E. R. Watson +9 more
semanticscholar +1 more source
Molecules, 2010 Low and high molecular weight fucoidans (F5-30K and F>30K) were chemically modified through the addition of sulfate groups, and the effect of oversulfation on the in vitro anticancer activity was investigated. After the addition of sulfate groups,
Myoung Lae Cho +2 more
doaj +1 more source
Molecular conformation affects the interaction of the Pseudomonas quinolone signal with the bacterial outer membrane. [PDF]
J Biol Chem, 2019 Gram-negative bacteria produce outer-membrane vesicles (OMVs) that package genetic elements, virulence factors, and cell-to-cell communication signaling compounds. Despite their importance in many disease-related processes, how these versatile structures
Li A, Schertzer JW, Yong X.
europepmc +2 more sources
Geometrical eigen-subspace framework based molecular conformation representation for efficient structure recognition and comparison. [PDF]
Journal of Chemical Physics, 2017 We have developed an extended distance matrix approach to study the molecular geometric configuration through spectral decomposition. It is shown that the positions of all atoms in the eigen-space can be specified precisely by their eigen-coordinates ...
Xiaotian Li, Xiao-Bao Yang, Yu-Jun Zhao
semanticscholar +1 more source
A Substrate-induced Biotin Binding Pocket in the Carboxyltransferase Domain of Pyruvate Carboxylase [PDF]
, 2013 Biotin-dependent enzymes catalyze carboxyl transfer reactions by efficiently coordinating multiple reactions between spatially distinct active sites. Pyruvate carboxylase (PC), a multifunctional biotin-dependent enzyme, catalyzes the bicarbonate- and ...
Lietzan, Adam D, Maurice, Martin St.
core +2 more sources
Molecular modeling of an antigenic complex between a viral peptide and a class I major histocompatibility glycoprotein [PDF]
, 1992 Computer simulation of the conformations of short antigenic peptides (&lo residues) either free or bound to their receptor, the major histocompatibility complex (MHC)- encoded glycoprotein H-2 Ld, was employed to explain experimentally determined ...
Allen +38 more
core +1 more source
A kernel-based approach to molecular conformation analysis [PDF]
Journal of Chemical Physics, 2018 We present a novel machine learning approach to understand conformation dynamics of biomolecules. The approach combines kernel-based techniques that are popular in the machine learning community with transfer operator theory for analyzing dynamical ...
Stefan Klus +3 more
semanticscholar +1 more source
Acta Crystallographica Section E: Crystallographic Communications, 2017 In the molecules of both (E)-1-{3-[(5-fluoro-2-hydroxybenzylidene)amino]phenyl}ethanone, C15H12FNO2, (I), and (E)-1-{3-[(2-hydroxy-3-methoxybenzylidene)amino]phenyl}ethanone, C16H15NO3, (II), which crystallizes with Z′ = 2 in space group Pca21, there are
Marisiddaiah Girisha +3 more
doaj +1 more source
Acta Crystallographica Section E: Crystallographic Communications, 2020 Crystal structures are reported for N-(4-methoxyphenyl)piperazine (MeOPP), (I), and for its 3,5-dinitrobenzoate, 2,4,6-trinitrophenolate (picrate) and 4-aminobenzoate salts, (II)–(IV), the last of which crystallizes as a monohydrate. In MeOPP, C11H16N2O,
Haruvegowda Kiran Kumar +4 more
doaj +1 more source