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- Currently displaying 61 - 80 of 700 publications
Evolution of $K$-means solution landscapes with the addition of dataset outliers and a robust clustering comparison measure for their analysis
(2023)
Energy landscapes and heat capacity signatures for monomers and dimers of amyloid forming hexapeptides
International Journal of Molecular Sciences
(2023)
24
10613
(doi: 10.3390/ijms241310613)
Stable and scalable computation of state visitation probabilities in finite Markov chains
The Journal of chemical physics
(2023)
158
211103
(doi: 10.1063/5.0154772)
Archetypal solution spaces for clustering gene expression datasets in identification of cancer subtypes
(2023)
Analysing ill-conditioned Markov chains
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
(2023)
381
20220245
(doi: 10.1098/rsta.2022.0245)
Energy landscapes and heat capacity signatures for monomers and dimers of amyloid forming hexapeptides
(2023)
(doi: 10.1101/2023.05.17.541223)
Physics Inspired Approaches To Understanding Gaussian Processes
(2023)
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity
(2023)
(doi: 10.1101/2023.05.05.539523)
On the mechanism of polaritonic rate suppression from quantum transition paths
(2023)
Physics-Inspired Interpretability Of Machine Learning Models
(2023)
Molecular Energy Landscapes of Hardware-Efficient Ansätze in Quantum Computing
Journal of chemical theory and computation
(2023)
19
1197
(doi: 10.1021/acs.jctc.2c01057)
Energy Landscapes for Proteins Described by the Unres Coarse-Grained Potential
(2023)
(doi: 10.2139/ssrn.4479330)
Dynamic Diastereomerism on Chiral Surfaces.
The journal of physical chemistry. C, Nanomaterials and interfaces
(2022)
127
229
(doi: 10.1021/acs.jpcc.2c06351)
Stochastic paths controlling speed and dissipation
Physical review. E
(2022)
106
054151
(doi: 10.1103/physreve.106.054151)
Enhancing Biomolecular Simulations with Hybrid Potentials Incorporating NMR Data.
J Chem Theory Comput
(2022)
18
7733
(doi: 10.1021/acs.jctc.2c00657)
Exploiting Sequence-Dependent Rotamer Information in Global Optimization of Proteins br
J Phys Chem B
(2022)
126
8381
(doi: 10.1021/acs.jpcb.2c04647)
Design of self-assembling mesoscopic Goldberg polyhedra
Nanoscale advances
(2022)
4
4272
(doi: 10.1039/d2na00447j)
Dynamical Signatures of Multifunnel Energy Landscapes.
Journal of Physical Chemistry Letters
(2022)
13
6349
(doi: 10.1021/acs.jpclett.2c01258)
