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Accounts of Chemical Research, ISSN 0001-4842, 07/2015, Volume 48, Issue 7, pp. 1815 - 1822
CONSPECTUS: Dispersive interactions are known to play a major role in molecular associations in the gas phase and in the solid state. In solution, however,... 
MOLECULAR RECOGNITION | INTERACTION ENERGIES | BINDING-AFFINITY | AROMATIC INTERACTIONS | BIOLOGICAL RECOGNITION | NONCOVALENT INTERACTIONS | BETA-HAIRPIN PEPTIDE | CHEMISTRY, MULTIDISCIPLINARY | PORPHYRIN COMPLEXES | ORGANIC-CRYSTALS | HYDROGEN-BONDS | Chemical properties | Analysis | Dispersion | Organic compounds
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 11/2014, Volume 10, Issue 11, pp. 5113 - 5124
Some frequently encountered deficiencies in all-atom molecular simulations, such as nonspecific proteinprotein interactions being too strong, and unfolded or... 
HYDRATION FREE-ENERGIES | SOLVATION FREE-ENERGIES | FOLDING SIMULATIONS | BETA-HAIRPIN | N-15 NMR RELAXATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | POLARIZABLE FORCE-FIELDS | CHEMISTRY, PHYSICAL | UNFOLDED PROTEINS | SIDE-CHAIN ANALOGS | MOLECULAR-DYNAMICS SIMULATIONS | VILLIN HEADPIECE SUBDOMAIN
Journal Article
RSC Advances, ISSN 2046-2069, 12/2014, Volume 5, Issue 6, pp. 4191 - 4199
Integrated-tempering-sampling molecular dynamics simulation is utilized to investigate the folding of a 67-residue three-α-helix bundle, α 3 W. Reversible... 
FREE-ENERGY CALCULATIONS | ENGRAILED HOMEODOMAIN | BETA-HAIRPIN | LANDSCAPE | FORCE-FIELD | 3-HELIX BUNDLE | MOLECULAR-DYNAMICS SIMULATIONS | DISORDERED CONFORMATIONS | CHEMISTRY, MULTIDISCIPLINARY | HISTOGRAM ANALYSIS METHOD | DEPENDENCE | Proteins | Bundling | Simulation | Assembling | Charge | Topology | Folding | Free energy
Journal Article
Journal Article
Accounts of Chemical Research, ISSN 0001-4842, 10/2008, Volume 41, Issue 10, pp. 1319 - 1330
Journal Article
Biochimie, ISSN 0300-9084, 02/2019, Volume 157, pp. 177 - 183
Kissing loop interactions (KLIs) are a common motif that is critical in retroviral dimerization, viroid replication, mRNA, and riboswitches. In addition, KLIs... 
Hairpins | Thermodynamics | Kissing-loop interactions | Bimolecular interactions | Sterics | RNA | STABILITY | BIOCHEMISTRY & MOLECULAR BIOLOGY | NUCLEAR-MAGNETIC-RESONANCE | COMPLEXES | VARKUD SATELLITE RIBOZYME | DIMERIZATION | SUBSTRATE RECOGNITION | IN-VITRO | NEUROSPORA | BINDING | Index Medicus
Journal Article
RSC Advances, ISSN 2046-2069, 2015, Volume 5, Issue 15, pp. 11577 - 11590
Further examination of peptides with well-folded antiparallel beta strands as inhibitors of amyloid formation from alpha-synuclein has resulted in more potent... 
THIOFLAVIN-T | NMR | AMYLOID FIBRILS | BETA-HAIRPIN | PROTEIN | IN-VIVO | SECONDARY STRUCTURE | CHEMISTRY, MULTIDISCIPLINARY | LONG-RANGE ORDER | PEPTIDE | PARKINSONS-DISEASE | Inhibitors | Peptides | Strands | Displays | Formations | Spectra | Agglomeration | Binding sites | β-hairpins | amyloidogenesis | NMR titration shifts | Parkinson’s disease
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 03/2006, Volume 128, Issue 11, pp. 3728 - 3736
Journal Article
Chemical Society Reviews, ISSN 0306-0012, 2007, Volume 36, Issue 2, pp. 172 - 188
Thermodynamic double-mutant cycles and triple-mutant boxes are widely employed for the experimental quantification of non-covalent interactions and cooperative... 
ELECTROSTATIC INTERACTIONS | GLYCOPEPTIDE ANTIBIOTICS | CATION-PI INTERACTIONS | ARENE INTERACTIONS | MOLECULAR RECOGNITION | FACE AROMATIC INTERACTIONS | CONFIGURATIONAL ENTROPY | BETA-HAIRPIN PEPTIDE | STACKING INTERACTIONS | CHEMISTRY, MULTIDISCIPLINARY | INTERMOLECULAR INTERACTIONS
Journal Article
LANGMUIR, ISSN 0743-7463, 09/2011, Volume 27, Issue 17, pp. 11145 - 11156
Noncovalent self-assembled materials inspired by amyloid architectures are useful for biomedical applications ranging from regenerative medicine to drug... 
HAIRPIN PEPTIDE HYDROGEL | NANOFIBERS | SELF-ASSEMBLED HYDROGEL | SMALL-MOLECULE | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | AROMATIC INTERACTIONS | CHEMISTRY, MULTIDISCIPLINARY | DESIGNED PEPTIDE | PHENYL-PERFLUOROPHENYL STACKING | SUPRAMOLECULAR HYDROGELS | QUADRUPOLE INTERACTIONS | GEL-PHASE MATERIALS
Journal Article
Chemical Communications, ISSN 1359-7345, 01/2016, Volume 52, Issue 9, pp. 1891 - 1894
Journal Article