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- Currently displaying 41 - 60 of 674 publications
Energy landscapes and heat capacity signatures for monomers and dimers of amyloid forming hexapeptides
(2023)
(doi: 10.1101/2023.05.17.541223)
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)
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)
Dynamic Diastereomerism on Chiral Surfaces.
– Journal of Physical Chemistry C
(2022)
127,
229
(doi: 10.1021/acs.jpcc.2c06351)
Author Correction: Nested sampling for physical scientists (Nature Reviews Methods Primers, (2022), 2, 1, (39), 10.1038/s43586-022-00121-x)
– Nature Reviews Methods Primers
(2022)
2,
44
(doi: 10.1038/s43586-022-00138-2)
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
– Journal of chemical theory and computation
(2022)
18,
7733
(doi: 10.1021/acs.jctc.2c00657)
Exploiting Sequence-Dependent Rotamer Information in Global Optimization of Proteins
– Journal of Physical Chemistry 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
– J Phys Chem Lett
(2022)
13,
6349
(doi: 10.1021/acs.jpclett.2c01258)
Exact electronic states with shallow quantum circuits through global optimisation
(2022)
(doi: 10.48550/arxiv.2207.00085)
Evaluating Geometric Definitions of Stacking for RNA DinucleosideMonophosphates Using Molecular Mechanics Calculations
– Journal of Chemical Theory and Computation
(2022)
18,
3637
(doi: 10.1021/acs.jctc.2c00178)
Nested sampling for physical scientists
– Nature Reviews Methods Primers
(2022)
2,
39
(doi: 10.1038/s43586-022-00121-x)
On the capacity and superposition of minima in neural network loss function landscapes
– Machine Learning: Science and Technology
(2022)
3,
025004
(doi: 10.1088/2632-2153/ac64e6)
Energy Landscapes for Base-Flipping in a Model DNA Duplex.
– The Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter
(2022)
126,
3012
(doi: 10.1021/acs.jpcb.2c00340)
Energy Landscapes of Carbon Clusters from Tight-Binding Quantum Potentials.
– Journal of Physical Chemistry A
(2022)
126,
2342
(doi: 10.1021/acs.jpca.2c00834)
The Energy Landscape Perspective: Encoding Structure and Function for Biomolecules.
– Front Mol Biosci
(2022)
9,
820792
(doi: 10.3389/fmolb.2022.820792)
