Year |
Citation |
Score |
2023 |
Kim Y, Mitchell Z, Lawrence J, Morozov D, Savikhin S, Slipchenko LV. Predicting Mutation-Induced Changes in the Electronic Properties of Photosynthetic Proteins from First Principles: The Fenna-Matthews-Olson Complex Example. The Journal of Physical Chemistry Letters. 7038-7044. PMID 37524046 DOI: 10.1021/acs.jpclett.3c01461 |
0.722 |
|
2023 |
Kim Y, Krylov AI. Two Algorithms for Excited-State Quantum Solvers: Theory and Application to EOM-UCCSD. The Journal of Physical Chemistry. A. PMID 37505075 DOI: 10.1021/acs.jpca.3c02480 |
0.586 |
|
2022 |
Bredt AJ, Kim Y, Mendes de Oliveira D, Urbina AS, Slipchenko LV, Ben-Amotz D. Expulsion of Hydroxide Ions from Methyl Hydration Shells. The Journal of Physical Chemistry. B. PMID 35077175 DOI: 10.1021/acs.jpcb.1c08420 |
0.693 |
|
2020 |
Kim Y, Bui Y, Tazhigulov RN, Bravaya KB, Slipchenko LV. Effective Fragment Potentials for Flexible Molecules: Transferability of Parameters and Amino Acid Database. Journal of Chemical Theory and Computation. PMID 33236635 DOI: 10.1021/acs.jctc.0c00758 |
0.564 |
|
2020 |
Herbers S, Fritz SM, Mishra P, Kim Y, Slipchenko L, Zwier TS. The unusual symmetry of hexafluoro-o-xylene-A microwave spectroscopy and computational study. The Journal of Chemical Physics. 152: 064302. PMID 32061218 DOI: 10.1063/1.5142169 |
0.696 |
|
2020 |
Kim Y, Morozov D, Stadnytskyi V, Savikhin S, Slipchenko L. Predictive First-principles Modeling of a Photosynthetic Antenna Protein: The Fenna-Matthews-Olson Complex. The Journal of Physical Chemistry Letters. PMID 32013435 DOI: 10.1021/Acs.Jpclett.9B03486 |
0.746 |
|
2019 |
Kaliakin DS, Nakata H, Kim Y, Chen Q, Fedorov DG, Slipchenko L. FMOxFMO: Elucidating Excitonic Interactions in the Fenna-Matthews-Olson Complex with the Fragment Molecular Orbital Method. Journal of Chemical Theory and Computation. PMID 31841349 DOI: 10.1021/Acs.Jctc.9B00621 |
0.744 |
|
2019 |
Tazhigulov RN, Gurunathan PK, Kim Y, Slipchenko LV, Bravaya KB. Polarizable embedding for simulating redox potentials of biomolecules. Physical Chemistry Chemical Physics : Pccp. PMID 31116217 DOI: 10.1039/C9Cp01533G |
0.596 |
|
Show low-probability matches. |