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- Currently displaying 101 - 120 of 680 publications
Transforming the Accuracy and Numerical Stability of ReaxFF Reactive Force Fields.
– The Journal of Physical Chemistry Letters
(2019)
10,
7215
(doi: 10.1021/acs.jpclett.9b02810)
Structural transitions in the RNA 7SK 5' hairpin and their effect on HEXIM binding.
– Nucleic acids research
(2019)
48,
373
(doi: 10.1093/nar/gkz1071)
Tunneling Splittings in Water Clusters from Path Integral Molecular Dynamics.
– The Journal of Physical Chemistry Letters
(2019)
10,
7300
(doi: 10.1021/acs.jpclett.9b02951)
Energy Landscapes and Hybridization Pathways for DNA Hexamer Duplexes.
– Journal of Physical Chemistry Letters
(2019)
10,
6771
(doi: 10.1021/acs.jpclett.9b02356)
Morphological analysis of chiral rod clusters from a coarse-grained single-site chiral potential.
– Soft matter
(2019)
15,
8147
(doi: 10.1039/C9SM01343A)
Morphological analysis of chiral rod clusters from a coarse-grained single-site chiral potential
(2019)
(doi: 10.48550/arxiv.1910.00378)
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.
– Journal of the American Chemical Society
(2019)
141,
14534
(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
– The 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.
– The journal of physical chemistry. B
(2019)
123,
57
(doi: 10.1021/acs.jpcb.8b09139)
Energy landscapes and molecule-molecule interactions
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
257,
Energy Landscape of the Designed Protein Top7.
– 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.
– 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)
