Tips on using this search form
- All search terms are case-insensitive
- If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
- To reset the search form, click here
- Currently displaying 121 - 140 of 709 publications
Protein energy landscape exploration with structure-based models
Current opinion in structural biology
(2020)
64
145
(doi: 10.1016/j.sbi.2020.07.003)
Improving double-ended transition state searches for soft-matter systems.
The Journal of chemical physics
(2020)
153
034104
(doi: 10.1063/5.0011829)
A well-behaved theoretical framework for ReaxFF reactive force fields.
The Journal of Chemical Physics
(2020)
153
021102
(doi: 10.1063/5.0013906)
Efficient and exact sampling of transition path ensembles on Markovian networks.
The Journal of Chemical Physics
(2020)
153
024121
(doi: 10.1063/5.0012128)
Energy Landscapes of Deoxyxylo- and Xylo-Nucleic Acid Octamers.
Journal of Physical Chemistry B
(2020)
124
4062
(doi: 10.1021/acs.jpcb.0c01420)
From sticky-hard-sphere to Lennard-Jones-type clusters
Physical Review E
(2020)
97
043309
(doi: 10.1103/physreve.97.043309)
Defining, Calculating, and Converging Observables of a Kinetic Transition Network.
Journal of Chemical Theory and Computation
(2020)
16
2661
(doi: 10.1021/acs.jctc.9b01211)
Perspective: New Insights From Loss Function Landscapes of Neural Networks
Machine Learning Science and Technology
(2020)
1
023002
(doi: 10.1088/2632-2153/ab7aef)
Affinity-selected bicyclic peptide G-quadruplex ligands mimic a protein-like binding mechanism
Journal of the American Chemical Society
(2020)
142
8367
(doi: 10.1021/jacs.0c01879)
Counterion‐Trapped‐Molecules: From High Polarity and Enriched IR Spectra to Induced Isomerization
Chemphyschem
(2020)
21
348
(doi: 10.1002/cphc.201901112)
Multifunnel Energy Landscapes for Phosphorylated Translation Repressor 4E-BP2 and Its Mutants
Journal of chemical theory and computation
(2020)
16
800
(doi: 10.1021/acs.jctc.9b01042)
A multifunnel energy landscape encodes the competing $\alpha$-helix and $\beta$-hairpin conformations for a designed peptide
Physical chemistry chemical physics : PCCP
(2020)
22
1359
(doi: 10.1039/c9cp04778f)
Flip rearrangement in the water pentamer: Analysis of electronic structure
International Journal of Quantum Chemistry
(2019)
120
e26124
(doi: 10.1002/qua.26124)
Transforming the Accuracy and Numerical Stability of ReaxFF Reactive Force Fields
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)
Energy Landscapes and Hybridization Pathways for DNA Hexamer Duplexes
The Journal of Physical Chemistry Letters
(2019)
10
6771
(doi: 10.1021/acs.jpclett.9b02356)
Tunneling Splittings in Water Clusters from Path Integral Molecular Dynamics.
J Phys Chem Lett
(2019)
10
7300
(doi: 10.1021/acs.jpclett.9b02951)
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)
