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- Currently displaying 141 - 160 of 693 publications
Computational Investigation of RNA A-Bulges Related to the Microtubule-Associated Protein Tau Causing Frontotemporal Dementia and Parkinsonism.
The journal of physical chemistry. B
(2018)
123
57
(doi: 10.1021/acs.jpcb.8b09139)
Designing hierarchical molecular complexity: icosahedra of addressable icosahedra
Molecular Physics
(2018)
116
2954
Mutational Basin-Hopping: Combined Structure and Sequence Optimization for Biomolecules
J Phys Chem Lett
(2018)
9
6169
(doi: 10.1021/acs.jpclett.8b02839)
Analysis of the Ub to Ub-CR Transition in Ubiquitin.
Biochemistry
(2018)
57
6180
(doi: 10.1021/acs.biochem.8b00770)
Effects of random pinning on the potential energy landscape of a supercooled liquid.
The Journal of chemical physics
(2018)
149
114503
(doi: 10.1063/1.5042140)
Proline provides site-specific flexibility for in vivo collagen.
Scientific reports
(2018)
8
13809
(doi: 10.1038/s41598-018-31937-x)
Computational Studies of the Mechanical Stability for Single-Strand Break DNA
J Phys Chem B
(2018)
122
8166
(doi: 10.1021/acs.jpcb.8b05417)
Terahertz VRT Spectroscopy of the Water Hexamer-h12 Cage: Dramatic Libration-Induced Enhancement of Hydrogen Bond Tunneling Dynamics
The Journal of Physical Chemistry A
(2018)
122
7421
(doi: 10.1021/acs.jpca.8b05777)
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.
Physical review. 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
J Am Chem Soc
(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
The 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
The journal of physical chemistry letters
(2018)
9
229
(doi: 10.1021/acs.jpclett.7b01933)
Path Integral Energy Landscapes for Water Clusters.
Journal of Chemical Theory and Computation
(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)
