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- Currently displaying 1 - 20 of 551 publications
Mapping Surface Hydrophobicity of α-Synuclein Oligomers at the Nanoscale.
– Nano Letters
(2018)
(DOI: 10.1021/acs.nanolett.8b02916)
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
– Journal of Chemical Physics
(2018)
149,
114503
(DOI: 10.1063/1.5042140)
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)
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.
– 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.8600370)
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.
– J Chem Phys
(2018)
148,
234102
(DOI: 10.1063/1.5029258)
Exotic bilayer crystals in a strong magnetic field
– Physical Review B
(2018)
97,
ARTN 245424
(DOI: 10.1103/PhysRevB.97.245424)
Evolved Minimal Frustration in Multifunctional Biomolecules.
– The Journal of Physical Chemistry B
(2018)
(DOI: 10.1021/acs.jpcb.8b03632)
Loss surface of XOR artificial neural networks
– Phys Rev E
(2018)
97,
052307
(DOI: 10.1103/PhysRevE.97.052307)
From sticky-hard-sphere to Lennard-Jones-type clusters.
– Physical Review E
(2018)
97,
043309
(DOI: 10.1103/PhysRevE.97.043309)
Exploring Energy Landscapes
– Annu Rev Phys Chem
(2018)
69,
401
Energy Landscapes for the Aggregation of Aβ 17–42
– Journal of the American Chemical Society
(2018)
140,
4018
(DOI: 10.1021/jacs.7b12896)
Terahertz VRT spectroscopy of the water hexamer-d12prism: Dramatic enhancement of bifurcation tunneling upon librational excitation
– Journal of Chemical Physics
(2018)
148,
ARTN 094301
(DOI: 10.1063/1.5006195)
Designing hierarchical molecular complexity: icosahedra of addressable icosahedra
– Molecular Physics
(2018)
116,
2954
Kinetics of Molecular Diffusion and Self-Assembly: Glycine on Cu{110}
– Journal of Physical Chemistry C
(2018)
122,
782
(DOI: 10.1021/acs.jpcc.7b06847)
