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- Currently displaying 61 - 80 of 703 publications
On the Mechanism of Polaritonic Rate Suppression from Quantum Transition Paths
The journal of physical chemistry letters
(2023)
14
6888
(doi: 10.1021/acs.jpclett.3c01188)
Triplet-Encoded Prebiotic RNA Aminoacylation.
Journal of the American Chemical Society
(2023)
145
15971
(doi: 10.1021/jacs.3c03931)
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)
Evolution of $K$-means solution landscapes with the addition of dataset outliers and a robust clustering comparison measure for their analysis
(2023)
Stable and scalable computation of state visitation probabilities in finite Markov chains
J Chem Phys
(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 of the Royal Society 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.
J Chem Theory Comput
(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
(2022)
127
229
(doi: 10.1021/acs.jpcc.2c06351)
Stochastic paths controlling speed and dissipation
Phys Rev 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.
The journal of physical chemistry. B
(2022)
126
8381
(doi: 10.1021/acs.jpcb.2c04647)
Design of self-assembling mesoscopic Goldberg polyhedra
Nanoscale Adv
(2022)
4
4272
(doi: 10.1039/d2na00447j)
