Results 151 to 160 of about 114,417 (310)
Exploring the origin of the internal rotational barrier for molecules with one rotatable dihedral angle [PDF]
, 2008 Shubin Liu +2 more
openalex +1 more source
Organocatalytic Enantioselective [4 + 4] Cycloadditions of Furan Ortho‐Quinodimethanes
Angewandte Chemie, EarlyView.The first organocatalytic enantioselective [4 + 4] cycloaddition of furan ortho‐quinodimethanes is presented. The reaction proceeds in good yields and with high enantioselectivities allowing for the formation of novel classes of cyclooctanoids. DFT calculations point to an intriguing mechanism, where the stereochemical outcome is attributed to ...
Niklas Lawaetz Østergaard +6 more
wiley +2 more sources
Angewandte Chemie, EarlyView.Herein we provide an overview of photochromic and photophysical properties of a broad variety of arylazo‐1,3,5‐trimethylpyrazole photoswitches, including the influence of 23 different para‐substituents. Measured half‐lives correlated in a Hammet plot are rationalized by density functional theory calculations, revealing the underlying thermal ...
Katharina Schlögl +6 more
wiley +2 more sources
Angewandte Chemie, EarlyView.Dendritic pillar[6]arenes encompass a new class of cavitands with planar chirality, unique binding pockets, and great water solubility. These easily accessible hosts permit differentiating racemic dexamisole from levamisole as known cocaine adulterants.
Nitesh Kumar +8 more
wiley +2 more sources
Force‐Induced Ring Flipping in a Threaded Pillar[5]Arene
Angewandte Chemie, EarlyView.Mechanical force was used to flip the orientation of a hydroquinone ring in a threaded pillar[5]arene to reach an elusive conformation not accessible to other methods of activation. The flipping can be suppressed with large substituents on the axle or the macrocycle.
Lei Chen +3 more
wiley +2 more sources
Correction to Optimization of Protein Backbone Dihedral Angles by Means of Hamiltonian Reweighting. [PDF]
J Chem Inf Model, 2018 Margreitter C, Oostenbrink C.
europepmc +1 more source
Analysis of relationship between local sequence and distribution of dihedral angles on mainchain
, 2000 S. Nakamura +3 more
openalex +2 more sources
Dihedral Angle Entropy Measures for Intrinsically Disordered Proteins [PDF]
, 2015 Robert I. Cukier
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Predicting dihedral angles with local sequence similarity in proteins
, 2001 Takashi Nishimura +2 more
openalex +2 more sources