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- Currently displaying 1 - 20 of 558 publications
Go-Kit: A Tool To Enable Energy Landscape Exploration of Proteins
– J Chem Inf Model
(2019)
acs.jcim.9b00007
(DOI: 10.1021/acs.jcim.9b00007)
Dynamics of an adenine-adenine RNA conformational switch from discrete path sampling
– J Chem Phys
(2019)
150,
125101
(DOI: 10.1063/1.5070152)
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
(2018)
15,
731
(DOI: 10.1021/acs.jctc.8b00912)
Computational Investigation of RNA A-Bulges Related to Microtubule-Associated Protein Tau Causing Frontotemporal Dementia and Parkinsonism.
– The Journal of Physical Chemistry B
(2018)
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
– 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 Lett
(2018)
18,
7494
(DOI: 10.1021/acs.nanolett.8b02916)
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.
– 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.
– The journal of physical chemistry. 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.
– 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)
The energy landscapes of mini-dumbbell DNA octanucleotides
– J Chem Theory Comput
(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)
