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- Currently displaying 141 - 160 of 704 publications
Energy Landscapes for Proteins: From Single Funnels to Multifunctional Systems
Advanced Theory and Simulations
(2019)
2
1800175
(doi: 10.1002/adts.201800175)
Energy Landscape for Fold-Switching in Regulatory Protein RfaH.
J Chem Theory Comput
(2019)
15
731
(doi: 10.1021/acs.jctc.8b00912)
Energy Landscape of the Designed Protein Top7.
The journal of physical chemistry. B
(2018)
122
12282
(doi: 10.1021/acs.jpcb.8b08499)
Intrinsically Disordered Landscapes for Human CD4 Receptor Peptide.
The Journal of Physical Chemistry B
(2018)
122
11906
(doi: 10.1021/acs.jpcb.8b08371)
Evolved Minimal Frustration in Multifunctional Biomolecules.
The journal of physical chemistry. B
(2018)
122
10989
(doi: 10.1021/acs.jpcb.8b03632)
Mapping Surface Hydrophobicity of α-Synuclein Oligomers at the Nanoscale.
Nano letters
(2018)
18
7494
(doi: 10.1021/acs.nanolett.8b02916)
Computational Investigation of RNA A‑Bulges Related to the Microtubule-Associated Protein Tau Causing Frontotemporal Dementia and Parkinsonism
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 Optimisation 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)
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
Journal of Physical Chemistry 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.
J Chem Phys
(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
Annu Rev Phys Chem
(2018)
69
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