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Chemistry – A European Journal, ISSN 0947-6539, 05/2017, Volume 23, Issue 29, pp. 6940 - 6940
Selective G‐quadruplex ligands offer great promise for the development of anti‐cancer therapies. A novel series of divalent cationic naphthalene diimide... 
carbohydrates | molecular recognition | G-quadruplexes | drug design | antitumour agents | Ligands | Selectivity | Naphthalene | Anticancer properties
Journal Article
Nature Chemical Biology, ISSN 1552-4450, 07/2015, Volume 11, Issue 7, pp. 511 - 517
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 12/2018, Volume 61, Issue 24, pp. 11021 - 11036
Spinal muscular atrophy (SMA), a rare neuromuscular disorder, is the leading genetic cause of death in infants and toddlers. SMA is caused by the deletion or a... 
CHEMISTRY, MEDICINAL | MODIFIERS | IDENTIFICATION | SINGLE NUCLEOTIDE
Journal Article
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 09/2013, Volume 56, Issue 17, pp. 7049 - 7059
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 02/2000, Volume 21, Issue 3, pp. 159 - 184
A modeling approach that can significantly speed up the dynamics simulation of large molecular systems is presented herein. A multigranular modeling approach,... 
macromolecules | numerical integrators | anharmonicity | molecular dynamics | normal modes | PRINCIPAL COMPONENT ANALYSIS | FREQUENCY NORMAL-MODES | ATOMIC FLUCTUATIONS | STEP METHODS | TERMINAL FRAGMENT | CHEMISTRY, MULTIDISCIPLINARY | L7/L12 RIBOSOMAL-PROTEIN | AQUEOUS-SOLUTION | COLLECTIVE MOTIONS | HIV-1 PROTEASE | PANCREATIC TRYPSIN-INHIBITOR
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 03/1999, Volume 121, Issue 10, pp. 2115 - 2122
A procedure based on simulated annealing Monte Carlo (SAMC) was used to predict the crystal structures of hydrogen-bonded organic molecules that form molecular... 
ORGANIC-CHEMISTRY | SELF-ASSEMBLIES | DESIGN | MINIMIZATION | RECOGNITION | COMPLEXES | ARCHITECTURE | MELAMINES | POLYMORPHS | CHEMISTRY, MULTIDISCIPLINARY | SOLID-STATE | Monte Carlo method | Usage | Simulated annealing (Mathematics) | Crystals | Research | Structure | Hydrogen bonding
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 05/1996, Volume 118, Issue 17, pp. 4018 - 4029
Six derivatives of 2-benzimidazolone, disubstituted in the 4 and 5 positions, have been synthesized, and their structures have been determined in the solid... 
DESIGN | MOLECULAR-SOLIDS | RECOGNITION | CARBON-MONOXIDE | COMPLEXES | CHEMISTRY | PACKING | CRYSTAL | CHEMISTRY, MULTIDISCIPLINARY | POLAR/PI | TAPES | Solid state chemistry | Benzimidazoles | Research
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 12/1997, Volume 119, Issue 49, pp. 11807 - 11816
A series of eight symmetrically substituted diketopiperazines (DKPs) derived from 1-amino-1-carboxycycloalkanes (n = 3−7; 3,3,5,5-tetramethylcyclohexane;... 
SELF-ASSEMBLIES | QUANTUM-MECHANICAL CALCULATIONS | DIOXOPIPERAZINES | CYCLIC DIPEPTIDES | COMPLEXES | CHEMISTRY | CRYSTAL-STRUCTURES | CONFORMATIONAL PREFERENCES | STATE | K DY CHEMISTRY | ORGANIC STRUCTURES | VIBRATIONAL ANALYSIS | Molecular crystals | Observations | Hydrogen bonding | Material chemistry | Chemical Sciences
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 06/1995, Volume 117, Issue 23, p. 6153
Journal Article
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