Frontiers in Genetics, 2021 Biological liquid–liquid phase separation (LLPS) is driven by dynamic and multivalent interactions, which involves conformational changes and intermolecular assembly/disassembly processes of various biomolecules. To understand the molecular mechanisms of
Yusuke Nakasone, Masahide Terazima
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Dataset of Noncovalent Intermolecular Interaction Energy Curves for 24 Small High-Spin Open-Shell Dimers [PDF]
, 2021 We introduce a dataset of 24 interaction energy curves of open-shell noncovalent dimers, referred to as the O24x5 dataset. The dataset consists of high-spin dimers up to eleven atoms selected to assure diversity with respect to interactions types ...
Marcin, Modrzejewski +6 more
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Foods, 2022 Ovalbumin (OVA) is a common carrier with high efficiency to deliver flavonoids. The aim of this study was to investigate the interaction mechanism of OVA and four flavonoids (quercetin (Que), myricetin (Myri), isorhamnetin (Ish), and kaempferol (Kaem ...
Wenna Zhou +5 more
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Peptidomimetic Catalysts as Chemical Probes of Weak Intermolecular Forces: An Insight into The N-H…Cl-C H-Bonding Interaction [PDF]
, 2023 Despite the widespread use of amide bond isosteres, there is only a limited understanding of their H-bonding mimicry of amides. With experimental and computational approaches, we have explored the hydrogen bonding acceptor potential of the chlorine ...
Chihiro, Iio +7 more
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Phenomenal Observation of Attractive Intermolecular CH⋯HC Interaction in a Mercury (II) Complex: An Experimental and First‐Principles Study [PDF]
, 2019 The nature of the attractive intermolecular C@H…H@C interaction, which could affect the crystal packing and solid-state molecular structure, is yet unknown.
Hamid Reza Khavasi +5 more
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Physical Mixture Interaction of Acetaminophenol with Naringenin
Indonesian Journal of Chemistry, 2018 The interaction of Active Pharmaceutical Ingredient (API) with other compounds will affect drugs stability, toxicity, modified dissolution profiles or may form a new compound with the different crystal structure.
Normyzatul Akmal Abd Malek +2 more
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Intermolecular Interaction Analyses on SARS-CoV-2 Receptor Binding Domain and Human Angiotensin-Converting Enzyme 2 Receptor-Blocking Antibody/peptide Using Fragment Molecular Orbital Calculation [PDF]
, 2021 The spike glycoprotein (S-protein) mediates SARS-CoV-2 entry via intermolecular interaction with human angiotensin-converting enzyme 2 (hACE2). The receptor-binding domain (RBD) of the S-protein has been considered critical for this interaction and acts ...
Watanabe K +7 more
europepmc +3 more sources
Learning Intermolecular Electronic Coupling from a Molecular-Orbital-Pair-based Descriptor [PDF]
, 2023 In this work, we proposed a graphic molecular-orbital-pair-based descriptor to predict intermolecular electronic couplings (ECs). We transform the numeric grid points data of the molecular orbitals (MOs) involved in the charge or energy transfer ...
Jingheng, Deng, Shuming, Bai
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HYDROGEN BONDS AND INTERACTIONS IN DRILLING FLUIDS
Известия высших учебных заведений: Нефть и газ, 2016 The article analyzes the intermolecular interactions in drilling fluids according to the conceptions of the supramolecular chemistry. Using the calculation method the values and the validity of orientation, induction and dispersion interactions in the ...
M. M.-R. Gaidarov +4 more
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Intermolecular interaction network in liquid acetone
, 2022 Molecular dynamics simulations, employing the transferable potentials for phase equilibria-united atom force field, have been performed to explore the structural features of liquid acetone.
ÖZKANLAR, ABDULLAH
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