Results 11 to 20 of about 2,372,774 (365)
Vibrational Assignments and Intramolecular Force Field of Trimethylaluminum [PDF]
Bulletin of the Chemical Society of Japan, 1965 Abstract A vacuum infrared cell for reactive or intermediate species has been devised by the use of polyethylene sheets as optical windows. The infrared spectra in the 4000–3100cm−1, 2500–1500 cm−1, 1250–750 cm−1 and 700–65 cm−1 regions can be measured with this liquid cell.
Teiichiro Ogawa +2 more
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From oncoproteins to spike proteins: the evaluation of intramolecular stability using hydropathic force field [PDF]
Journal of Computer-Aided Molecular Design, 2022 Evaluation of the intramolecular stability of proteins plays a key role in the comprehension of their biological behavior and mechanism of action.
Federica Agosta +2 more
semanticscholar +4 more sources
Scientific ReportsIn this study, the conformational potential energy surfaces of Amylmetacresol, Benzocaine, Dopamine, Betazole, and Betahistine molecules were scanned and analyzed using the neural network architecture ANI-2 × and ANI-1ccx, the force field method OPLS ...
Mozafar Rezaee +2 more
doaj +2 more sources
Erratum: Intramolecular-force-constant model for
Physical Review B (Condensed Matter), 1993 Jack L. Feldman +4 more
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Intramolecular Force Field of Some Tetrahedral Thio and Seleno Anions [PDF]
, 1974 The orbital valence force field (OVFF) and the Urey- Bradley force field (UBFF) have been employed to evaluate the force constants of thio and seleno anions of VA, VB, VIB and VIIB group atoms of the periodic table.
Nitish K. Sanyal, Parvez Ahmad
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Evidence for Intramolecular Antiparallel Beta-Sheet Structure in Alpha-Synuclein Fibrils from a Combination of Two-Dimensional Infrared Spectroscopy and Atomic Force Microscopy [PDF]
Scientific Reports, 2017 The aggregation of the intrinsically disordered protein alpha-synuclein (αS) into amyloid fibrils is thought to play a central role in the pathology of Parkinson’s disease.
Steven J. Roeters +5 more
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Characterization of Inter- and Intramolecular Interactions of Amyloid Fibrils by AFM-Based Single-Molecule Force Spectroscopy [PDF]
, 2016 Amyloids are fibrous protein aggregates defined by shared specific structural features. Abnormal accumulation of amyloid in organs leads to amyloidosis, which results in various neurodegenerative diseases.
Yinli Li +6 more
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Machine Learning: Science and Technology, 2023 Hydrogen bonding interactions, which are central to various physicochemical processes, are investigated in the present study using ab initio -based machine learning potential energy surfaces.
Shampa Raghunathan +1 more
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Organic Materials, 2021 Intramolecular methyl–methyl coupling on Au (111) is explored as a new on-surface protocol for edge extension in graphene nanoribbons (GNRs). Characterized by high-resolution scanning tunneling microscopy, noncontact atomic force microscopy, and Raman ...
Zijie Qiu +8 more
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