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- Currently displaying 1 - 20 of 562 publications
Temperature Controls Guest Uptake and Release from Zn4L4 Tetrahedra.
– Journal of the American Chemical Society
(2019)
jacs.9b07307
(DOI: 10.1021/jacs.9b07307)
The Contribution of Backbone Electrostatic Repulsion to DNA Mechanical Properties is Length-Scale-Dependent.
– The Journal of Physical Chemistry Letters
(2019)
10,
4829
(DOI: 10.1021/acs.jpclett.9b01960)
Go-Kit: A Tool to Enable Energy Landscape Exploration of Proteins
– J Chem Inf Model
(2019)
59,
1703
(DOI: 10.1021/acs.jcim.9b00007)
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)
Computational Investigation of RNA A-Bulges Related to the Microtubule-Associated Protein Tau Causing Frontotemporal Dementia and Parkinsonism
– J Phys Chem B
(2019)
123,
57
(DOI: 10.1021/acs.jpcb.8b09139)
Intrinsically Disordered Landscapes for Human CD4 Receptor Peptide.
– Journal of Physical Chemistry B
(2018)
122,
11906
(DOI: 10.1021/acs.jpcb.8b08371)
Evolved Minimal Frustration in Multifunctional Biomolecules
– J Phys Chem 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)
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.
– Journal of Physical Chemistry A
(2018)
122,
7421
(DOI: 10.1021/acs.jpca.8b05777)
Proline provides site-specific flexibility for in vivo collagen.
– Sci Rep
(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.8b00370)
Predicting Pathways between Distant Configurations for Biomolecules
– JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2018)
14,
4271
(DOI: 10.1021/acs.jctc.8600370)
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)
