Year |
Citation |
Score |
2020 |
Raz K, Levi S, Gupta PK, Major DT. Enzymatic control of product distribution in terpene synthases: insights from multiscale simulations. Current Opinion in Biotechnology. 65: 248-258. PMID 32679412 DOI: 10.1016/J.Copbio.2020.06.002 |
0.303 |
|
2019 |
El Hage K, Hédin F, Gupta PK, Meuwly M, Karplus M. Response to comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size'. Elife. 8. PMID 31219783 DOI: 10.7554/Elife.45318 |
0.687 |
|
2019 |
Gupta PK, Esser A, Forbert H, Marx D. Toward theoretical terahertz spectroscopy of glassy aqueous solutions: partially frozen solute-solvent couplings of glycine in water. Physical Chemistry Chemical Physics : Pccp. PMID 30758388 DOI: 10.1039/C8Cp07489E |
0.372 |
|
2019 |
Gupta PK, Schienbein P, Daru J, Marx D. THz Spectra of Microsolvated Ions: Do they Reveal Bulk Solvation Properties? The Journal of Physical Chemistry Letters. PMID 30607961 DOI: 10.1021/Acs.Jpclett.8B03188 |
0.313 |
|
2019 |
Hage KE, Hédin F, Gupta PK, Meuwly M, Karplus M. Author response: Response to comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size' Elife. DOI: 10.7554/Elife.45318.012 |
0.631 |
|
2018 |
El Hage K, Hédin F, Gupta PK, Meuwly M, Karplus M. Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size. Elife. 7. PMID 29998846 DOI: 10.7554/Elife.35560 |
0.693 |
|
2018 |
Hage KE, Hédin F, Gupta PK, Meuwly M, Karplus M. Author response: Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size Elife. DOI: 10.7554/Elife.35560.024 |
0.643 |
|
2017 |
El Hage K, Gupta PK, Bemish RJ, Meuwly M. Molecular Mechanisms Underlying Solute Retention at Heterogeneous Interfaces. The Journal of Physical Chemistry Letters. PMID 28872324 DOI: 10.1021/Acs.Jpclett.7B01966 |
0.661 |
|
2016 |
Gupta PK, Meuwly M. Structure and Dynamics of Water/Methanol Mixtures at Hydroxylated Silica Interfaces Relevant to Chromatography. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 27168491 DOI: 10.1002/Cphc.201600180 |
0.554 |
|
2016 |
Gupta PK, Meuwly M. Ligand and interfacial dynamics in a homodimeric hemoglobin. Structural Dynamics (Melville, N.Y.). 3: 012003. PMID 26958581 DOI: 10.1063/1.4940228 |
0.529 |
|
2013 |
Gupta PK, Meuwly M. Dynamics and vibrational spectroscopy of water at hydroxylated silica surfaces Faraday Discussions. 167: 329-346. PMID 24640499 DOI: 10.1039/C3Fd00096F |
0.54 |
|
2012 |
Gupta PK, Meuwly M. Dynamics of water/methanol mixtures at functionalized chromatographic interfaces. The Journal of Physical Chemistry. B. 116: 10951-9. PMID 22839971 DOI: 10.1021/Jp305351F |
0.562 |
|
2012 |
Gupta PK, Meuwly M. Dynamics of water/methanol mixtures at functionalized chromatographic interfaces Journal of Physical Chemistry B. 116: 10951-10959. DOI: 10.1021/jp305351f |
0.47 |
|
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