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- Currently displaying 141 - 160 of 709 publications
Identifying mechanistically distinct pathways in kinetic transition networks
The Journal of Chemical Physics
(2019)
151
124101
(doi: 10.1063/1.5111939)
Temperature Controls Guest Uptake and Release from Zn4L4 Tetrahedra.
J Am Chem Soc
(2019)
141
14534
(doi: 10.1021/jacs.9b07307)
The Contribution of Backbone Electrostatic Repulsion to DNA Mechanical Properties is Length-Scale-Dependent.
Journal of Physical Chemistry Letters
(2019)
10
4829
(doi: 10.1021/acs.jpclett.9b01960)
Energy landscapes and dynamics of xylo-nucleic acids
(2019)
Go-Kit: A Tool to Enable Energy Landscape Exploration of Proteins
J Chem Inf Model
(2019)
59
1703
(doi: 10.1021/acs.jcim.9b00007)
Energy landscapes and molecule-molecule interactions
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
257
Dynamics of an adenine-adenine RNA conformational switch from discrete path sampling
Journal of Chemical Physics
(2019)
150
125101
(doi: 10.1063/1.5070152)
Energy Landscape for Fold-Switching in Regulatory Protein RfaH.
Journal of chemical theory and computation
(2019)
15
731
(doi: 10.1021/acs.jctc.8b00912)
Energy Landscapes for Proteins: From Single Funnels to Multifunctional Systems
Advanced Theory and Simulations
(2019)
2
1800175
(doi: 10.1002/adts.201800175)
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
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.
The journal of physical chemistry letters
(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)
