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- Currently displaying 1 - 20 of 562 publications
Energy Landscapes and Hybridization Pathways for DNA Hexamer Duplexes
– The Journal of Physical Chemistry Letters
(2019)
6771
(DOI: 10.1021/acs.jpclett.9b02356)
Identifying mechanistically distinct pathways in kinetic transition networks
– J Chem Phys
(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.
– 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
– J Chem Phys
(2019)
150,
125101
(DOI: 10.1063/1.5070152)
Energy Landscape for Fold-Switching in Regulatory Protein RfaH.
– J Chem Theory Comput
(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)
Morphological analysis of chiral rod clusters from a coarse-grained single-site chiral potential
– Soft Matter
(2019)
15,
8147
(DOI: 10.1039/c9sm01343a)
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
– 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 Optimisation 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)
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.
– J Phys Chem 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)
