Results 91 to 100 of about 4,488,130 (223)

Synthesis and Regularities of the Structure–Activity Relationship in a Series of N-Pyridyl-4-methyl-2,2-dioxo-1H-2λ⁶,1-benzothiazine-3-carboxamides

Scientia Pharmaceutica, 2019
According to our quantum and chemical calculations 4-methyl-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxylic acid imidazolide is theoretically almost as reactive as its 2-carbonyl analog, and it forms the corresponding N-pyridyl-4-methyl-2,2-dioxo-1H-2&
Igor V. Ukrainets, Anna A. Burian, Ganna M. Hamza, Natali I. Voloshchuk, Oxana V. Malchenko, Svitlana V. Shishkina, Lyudmila V. Sidorenko, Kateryna O. Burian, Galina Sim   +8 more
doaj   +1 more source

PolyConf: Unlocking Polymer Conformation Generation through Hierarchical Generative Models [PDF]

arXiv
Polymer conformation generation is a critical task that enables atomic-level studies of diverse polymer materials. While significant advances have been made in designing various conformation generation methods for small molecules and proteins, these methods struggle to generate polymer conformations due to polymers' unique structural characteristics ...
arxiv  

Folded conformations. Part 10. Crystal and molecular structure of p-dimethylaminophenyl N-methyl-N-(p-nitrophenylsulphonylmethyl)carbamate. Non-bonded energy calculations on molecular conformations [PDF]

, 1978
Rudy J. J. Visser, A. Vos, Jan B. F. N. Engberts   +2 more
openalex   +1 more source

An Investigation of the Molecular Structure and Conformation of 1,2-Dimethoxyethane, CH3-O-CH2-CH2-O-CH3, in the Gas Phase. [PDF]

, 1979
E. E. Astrup, L. Pataki, Ralf Steudel
openalex   +1 more source

Molecular conformation of polyelectrolytes inside Layer-by-Layer assembled films. [PDF]

Nat Commun, 2023
Gutfreund P, Higy C, Fragneto G, Tschopp M, Felix O, Decher G.   +5 more
europepmc   +1 more source

Combinatorial Screening of Cationic Lipidoids Reveals How Molecular Conformation Affects Membrane-Targeting Antimicrobial Activity. [PDF]

ACS Appl Mater Interfaces, 2023
Jennings J, Ašćerić D, Semeraro EF, Lohner K, Malanovic N, Pabst G.   +5 more
europepmc   +1 more source

Conformational Analysis. III. The Molecular Structure, Torsional Oscillations, and Conformational Equilibria of Gaseous (CH2Cl)2C(CH3)2, 1,3-Dichloro-2,2-dimethylpropane, as Determined by Electron Diffraction and Compared with Semiempirical Calculations. [PDF]

, 1974
Reidar Stølevik, Nils Ingri, P. S. Frederichsen, K. F. Nakken   +3 more
openalex   +1 more source

On the Role of Molecular Conformation of the 8-Oxoguanine Lesion in Damaged DNA Processing by Polymerases. [PDF]

J Chem Inf Model, 2023
Geronimo I, Vidossich P, De Vivo M.
europepmc   +1 more source

Molecular Orbital Studies of Ethylenediamine Conformations [PDF]

, 1972
Mu Shik Jhon, Ung-Ln Cho, Lemont B. Kier, Henry Eyring   +3 more
openalex   +1 more source

Atomic resolution structure analysis of β′ polymorph crystal of a triacylglycerol: 1,2-dipalmitoyl-3-myristoyl-sn-glycerol

Journal of Lipid Research, 2001
The crystal structure of the β′-2 form of a mixed chain triacylglycerol (TAG), 1,2-dipalmitoyl-3-myristoyl-sn-glycerol (PPM), was determined to a final reliability factor of 0.074.
Kiyotaka Sato, Midori Goto, Junko Yano, Kazuhisa Honda, Dharma R. Kodali, Donald M. Small   +5 more
doaj