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- Currently displaying 101 - 120 of 653 publications
Proline provides site-specific flexibility for in vivo collagen
– Scientific Reports
(2018)
8,
13809
(doi: 10.1038/s41598-018-31937-x)
Terahertz VRT Spectroscopy of the Water Hexamer-h12 Cage: Dramatic Libration-Induced Enhancement of Hydrogen Bond Tunneling Dynamics.
– J Phys Chem A
(2018)
122,
7421
(doi: 10.1021/acs.jpca.8b05777)
Computational Studies of the Mechanical Stability for Single-Strand Break DNA
– The journal of physical chemistry. B
(2018)
122,
8166
(doi: 10.1021/acs.jpcb.8b05417)
Predicting Pathways between Distant Configurations for Biomolecules.
– Journal of Chemical Theory and Computation
(2018)
14,
4271
(doi: 10.1021/acs.jctc.8b00370)
Predicting Pathways between Distant Configurations for Biomolecules
– JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2018)
14,
4271
(doi: 10.1021/acs.jctc.8b00370)
Energy Landscapes of Mini-Dumbbell DNA Octanucleotides
– Journal of Chemical Theory and Computation
(2018)
14,
3870
(doi: 10.1021/acs.jctc.8b00262)
Tunneling splittings from path-integral molecular dynamics using a Langevin thermostat
– The Journal of chemical physics
(2018)
148,
234102
(doi: 10.1063/1.5029258)
Exotic bilayer crystals in a strong magnetic field
– Physical Review B
(2018)
97,
245424
(doi: 10.1103/PhysRevB.97.245424)
Loss surface of XOR artificial neural networks.
– Phys Rev E
(2018)
97,
052307
(doi: 10.1103/physreve.97.052307)
Exploring Energy Landscapes.
– Annual review of physical chemistry
(2018)
69,
401
Energy Landscapes for the Aggregation of Aβ17–42
– Journal of the American Chemical Society
(2018)
140,
4018
(doi: 10.1021/jacs.7b12896)
Terahertz VRT spectroscopy of the water hexamer-d12 prism: Dramatic enhancement of bifurcation tunneling upon librational excitation
– Journal of Chemical Physics
(2018)
148,
094301
(doi: 10.1063/1.5006195)
Structure, thermodynamics, and rearrangement mechanisms in gold clusters—insights from the energy landscapes framework
– Nanoscale
(2018)
10,
2004
(doi: 10.1039/c7nr07123j)
Energy Landscape and Pathways for Transitions between Watson-Crick and Hoogsteen Base Pairing in DNA
– J Phys Chem Lett
(2018)
9,
229
(doi: 10.1021/acs.jpclett.7b01933)
Path Integral Energy Landscapes for Water Clusters
– J Chem Theory Comput
(2018)
15,
33
(doi: 10.1021/acs.jctc.8b00675)
Kinetics of Molecular Diffusion and Self-Assembly: Glycine on Cu{110}
– The Journal of Physical Chemistry C
(2017)
122,
782
(doi: 10.1021/acs.jpcc.7b06847)
Structure and Thermodynamics of Metal Clusters on Atomically Smooth Substrates
– The journal of physical chemistry letters
(2017)
8,
5402
(doi: 10.1021/acs.jpclett.7b02543)
Multifunctional energy landscape for a DNA G-quadruplex: An evolved molecular switch.
– The Journal of Chemical Physics
(2017)
147,
152715
(doi: 10.1063/1.4997377)
Pathways for diffusion in the potential energy landscape of the network glass former SiO2
– The Journal of Chemical Physics
(2017)
147,
152726
(doi: 10.1063/1.5005924)
Properties of kinetic transition networks for atomic clusters and glassy solids
– Phys Chem Chem Phys
(2017)
19,
25498
(doi: 10.1039/C7CP03346J)
