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Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 07/2017, Volume 114, Issue 28, pp. E5494 - E5503
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 11/2013, Volume 139, Issue 20, p. 201102
Establishing the relative orientation of the two benzene molecules in the dimer has remained an enigmatic challenge. Consensus has narrowed the choice of... 
MOLECULAR-DYNAMICS | SPECTROSCOPY | DETAILS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | AROMATIC INTERACTIONS | RAMAN | Hydrocarbons | Molecular dynamics | Dimers | Benzene | Free energy
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 2/2007, Volume 104, Issue 6, pp. 1817 - 1822
The kinetics of biomolecular isomerization processes, such as protein folding, is governed by a free-energy surface of high dimensionality and complexity. As... 
Approximation | Isomerization | Complex networks | Coordinate systems | Mathematical minima | Kinetics | Granularity | Modeling | Modularity | Free energy | TRANSITION | PROTEIN | MODELS | MULTIDISCIPLINARY SCIENCES | DYNAMICS | SYSTEMS | VIEW | SURFACES | LIQUIDS | Alanine - analogs & derivatives | Thermodynamics | Models, Chemical | Protein Folding | Protein folding | Research | Biological Sciences | Physical Sciences
Journal Article
Nanoscale, ISSN 2040-3364, 8/2014, Volume 6, Issue 18, pp. 1717 - 1726
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 3/2013, Volume 110, Issue 12, pp. 4500 - 4505
Journal Article
Physica D: Nonlinear Phenomena, ISSN 0167-2789, 11/2016, Volume 334, pp. 60 - 81
Phase separation mechanisms can produce a variety of complicated and intricate microstructures, which often can be difficult to characterize in a quantitative... 
Inverse analysis | Phase separation mechanisms | Computational topology | MATHEMATICS, APPLIED | PHYSICS, MULTIDISCIPLINARY | COREDUCTION HOMOLOGY | ALGORITHM | SPINODAL DECOMPOSITION | PHYSICS, MATHEMATICAL | FREE-ENERGY | NONUNIFORM SYSTEM
Journal Article
Soft Matter, ISSN 1744-683X, 2015, Volume 11, Issue 41, pp. 8141 - 8153
Journal Article
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, ISSN 1364-503X, 02/2005, Volume 363, Issue 1827, pp. 453 - 467
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 12/2018, Volume 122, Issue 50, pp. 11906 - 11921
Because of their inherent structural plasticity, intrinsically disordered proteins (IDPs) are generally difficult to characterize, both experimentally and via... 
CYTOPLASMIC DOMAIN | CELL-SURFACE CD4 | FREE-ENERGY LANDSCAPE | TYROSINE KINASE | FINDING SADDLE-POINTS | CHEMISTRY, PHYSICAL | STRUCTURAL ENSEMBLE | EXCHANGE MOLECULAR-DYNAMICS | ELASTIC BAND METHOD | TYPE-1 VPU PROTEIN | AMBER FORCE-FIELDS
Journal Article
Current Opinion in Structural Biology, ISSN 0959-440X, 06/2015, Volume 32, pp. 25 - 32
A major challenge facing the community involves identification of mutations that drive cancer. Analyses of cancer genomes to detect, and distinguish, ‘driver’... 
EGFR KINASE | ACTIVATION | SIGNATURES | FREE-ENERGY LANDSCAPE | BIOCHEMISTRY & MOLECULAR BIOLOGY | GENES | ONCOGENIC MUTATIONS | MECHANISMS | SOMATIC MUTATIONS | MISSENSE MUTATIONS | KINASE DOMAIN | CELL BIOLOGY | Proteins - genetics | Models, Molecular | Animals | Mutation | Neoplasms - genetics | Humans | Automobile drivers | Genetic aspects | Cancer
Journal Article