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Klimov, Dmitri K.
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1

Binding and dimerization of PGLa peptides in anionic lipid ..:

Bowers, Steven R. ; Lockhart, Christopher ; Klimov, Dmitri K.
Scientific Reports.  14 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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2

Competitive Binding of Viral Nuclear Localization Signal Pe..:

Delfing, Bryan M. ; Laracuente, Xavier E. ; Jeffries, William...
Journal of Chemical Information and Modeling.  64 (2024)  13 - p. 5262-5272 , 2024
Link: https://doi.org/10.1021/..
 
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3

Can Free Energy Perturbation Simulations Coupled with Repli..:

Lockhart, Christopher ; Luo, Xingyu ; Olson, Audrey...
Journal of Chemical Information and Modeling.  63 (2023)  15 - p. 4791-4802 , 2023
Link: https://doi.org/10.1021/..
 
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4

Binding of viral nuclear localization signal peptides to im..:

Delfing, Bryan M. ; Laracuente, Xavier E. ; Olson, Audrey...
Biophysical Journal.  122 (2023)  17 - p. 3476-3488 , 2023
Link: https://doi.org/10.1016/..
 
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5

Replica Exchange with Hybrid Tempering Efficiently Samples ..:

Bowers, Steven R. ; Lockhart, Christopher ; Klimov, Dmitri K.
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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6

Lysine Acetylation Changes the Mechanism of Aβ25–35 Peptide..:

Khayat, Elias ; Delfing, Bryan M. ; Laracuente, Xavier...
ACS Chemical Neuroscience.  14 (2023)  3 - p. 494-505 , 2023
Link: https://doi.org/10.1021/..
 
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7

Binding of Venezuelan Equine Encephalitis Virus Inhibitors ..:

Delfing, Bryan M. ; Olson, Audrey ; Laracuente, Xavier E....
The Journal of Physical Chemistry B.  127 (2023)  14 - p. 3175-3186 , 2023
Link: https://doi.org/10.1021/..
 
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8

Machine learning-based prediction of drug and ligand bindin..:

R. Hamre III, John ; Klimov, Dmitri K. ; McCoy, Matthew D..
Computers in Biology and Medicine.  140 (2022)  - p. 105060 , 2022
Link: https://doi.org/10.1016/..
 
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9

Mechanisms of Binding of Antimicrobial Peptide PGLa to DMPC..:

Bowers, Steven R. ; Klimov, Dmitri K. ; Lockhart, Christopher
Journal of Chemical Information and Modeling.  62 (2022)  6 - p. 1525-1537 , 2022
Link: https://doi.org/10.1021/..
 
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10

De Novo Transmembrane Aggregation of Aβ10–40 Peptides in an..:

Vergilio, James ; Lockhart, Christopher ; Klimov, Dmitri K.
Journal of Chemical Information and Modeling.  62 (2022)  23 - p. 6228-6241 , 2022
Link: https://doi.org/10.1021/..
 
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11

Partitioning of Aβ Peptide Fragments into Blood–Brain Barri..:

Siwy, Christopher M. ; Delfing, Bryan M. ; Lockhart, Christopher..
The Journal of Physical Chemistry B.  125 (2021)  10 - p. 2658-2676 , 2021
Link: https://doi.org/10.1021/..
 
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12

Data Mining of Molecular Simulations Suggest Key Amino Acid..:

Gurunathan, Vaibhav ; Hamre III, John ; Klimov, Dmitri K..
Biomolecules.  11 (2021)  10 - p. 1541 , 2021
Link: https://doi.org/10.3390/..
 
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13

Met35 Oxidation Hinders Aβ25-35 Peptide Aggregation within ..:

Khayat, Elias ; Lockhart, Christopher ; Delfing, Bryan M...
ACS Chemical Neuroscience.  12 (2021)  17 - p. 3225-3236 , 2021
Link: https://doi.org/10.1021/..
 
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14

Partitioning of Benzoic Acid into 1,2-Dimyristoyl-sn-glycer..:

Siwy, Christopher M. ; Delfing, Bryan M. ; Smith, Amy K..
Journal of Chemical Information and Modeling.  60 (2020)  8 - p. 4030-4046 , 2020
Link: https://doi.org/10.1021/..
 
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15

Three Popular Force Fields Predict Consensus Mechanism of A..:

Lockhart, Christopher ; Smith, Amy K. ; Klimov, Dmitri K.
Journal of Chemical Information and Modeling.  60 (2020)  4 - p. 2282-2293 , 2020
Link: https://doi.org/10.1021/..
 
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