Year |
Citation |
Score |
2020 |
Zhang X, Wang Z, Chen ZN, Li H, Zhang L, Ye JT, Zhang Q, Zhuang W. Molecular Mechanism of Water Reorientation Dynamics in Dimethyl Sulfoxide Aqueous Mixtures. The Journal of Physical Chemistry. B. PMID 32022564 DOI: 10.1021/Acs.Jpcb.0C00717 |
0.341 |
|
2019 |
Long F, Chen Z, Han K, Zhang L, Zhuang W. Differentiation between Enamines and Tautomerizable Imines Oxidation Reaction Mechanism using Electron-Vibration-Vibration Two Dimensional Infrared Spectroscopy. Molecules (Basel, Switzerland). 24. PMID 30823671 DOI: 10.3390/Molecules24050869 |
0.315 |
|
2018 |
Chen X, Song J, Chen ZN, Jin T, Long F, Xie H, Zheng Y, Zhuang W, Zhang L. Rational designing of 8-hydroxyquinolin-imidazolinone-based fluorescent protein mutants with dramatically red shifted emission: A computational study. Journal of Computational Chemistry. PMID 30318750 DOI: 10.1002/Jcc.25552 |
0.304 |
|
2018 |
Zhang Q, Wu T, Chen C, Mukamel S, Zhuang W. Reply to Stirnemann et al.: Frame retardation is the key reason behind the general slowdown of water reorientation dynamics in concentrated electrolytes. Proceedings of the National Academy of Sciences of the United States of America. PMID 29748428 DOI: 10.1073/Pnas.1805682115 |
0.367 |
|
2018 |
Zhang X, Zhang L, Jin T, Zhang Q, Zhuang W. Cosolvent effect on the dynamics of water in aqueous binary mixtures Molecular Physics. 116: 1014-1025. DOI: 10.1080/00268976.2018.1424958 |
0.312 |
|
2018 |
Zhang Q, Du Y, Chen C, Zhuang W. Rotational Mechanism of Ammonium Ion in Water and Methanol Chinese Journal of Chemical Physics. 31: 568-574. DOI: 10.1063/1674-0068/31/Cjcp1806144 |
0.35 |
|
2018 |
Zhang Q, Pan Z, Zhang L, Zhang R, Chen Z, Jin T, Wu T, Chen X, Zhuang W. Ion effect on the dynamics of water hydrogen bonding network: A theoretical and computational spectroscopy point of view Wiley Interdisciplinary Reviews: Computational Molecular Science. 8: e1373. DOI: 10.1002/Wcms.1373 |
0.3 |
|
2017 |
Zhang Q, Wu T, Chen C, Mukamel S, Zhuang W. Molecular mechanism of water reorientational slowing down in concentrated ionic solutions. Proceedings of the National Academy of Sciences of the United States of America. PMID 28874580 DOI: 10.1073/Pnas.1707453114 |
0.458 |
|
2017 |
Zhang Q, Chen H, Wu T, Jin T, Pan Z, Zheng J, Gao Y, Zhuang W. The opposite effects of sodium and potassium cations on water dynamics. Chemical Science. 8: 1429-1435. PMID 28451283 DOI: 10.1039/C6Sc03320B |
0.338 |
|
2017 |
Chen X, Wu T, Chen Z, Jin T, Zhuang W, Zheng Y. Simulation of the T-jump triggered unfolding and thermal unfolding vibrational spectroscopy related to polypeptides conformation fluctuation Science China-Chemistry. 60: 1115-1129. DOI: 10.1007/S11426-016-9055-3 |
0.366 |
|
2016 |
Chen F, Zeng Q, Zhuang W, Liang W. Characterizing the Structures, Spectra and Energy Landscapes Involved in Excited-state Proton Transfer Process of Red Fluorescent Protein LSSmKate1. The Journal of Physical Chemistry. B. PMID 27581731 DOI: 10.1021/Acs.Jpcb.6B04708 |
0.349 |
|
2015 |
Fang B, Wang T, Chen X, Jin T, Zhang R, Zhuang W. Modeling Vibrational Spectra of Ester Carbonyl Stretch in Water and DMSO based on Molecular Dynamics Simulation. The Journal of Physical Chemistry. B. PMID 26335032 DOI: 10.1021/Acs.Jpcb.5B06541 |
0.396 |
|
2015 |
Pan Z, Wu T, Jin T, Liu Y, Nagata Y, Zhang R, Zhuang W. Low frequency 2D Raman-THz spectroscopy of ionic solution: A simulation study. The Journal of Chemical Physics. 142: 212419. PMID 26049439 DOI: 10.1063/1.4917260 |
0.606 |
|
2015 |
Wu T, Wang T, Chen X, Fang B, Zhang R, Zhuang W. Modeling the temperature-dependent peptide vibrational spectra based on implicit-solvent model and enhance sampling technique Chinese Physics B. 25. DOI: 10.1088/1674-1056/25/1/018201 |
0.401 |
|
2015 |
Zhang R, Pan Z, Zhuang W. Modeling the low frequency vibrational spectroscopy of ionic solutions International Journal of Quantum Chemistry. 115: 564-569. DOI: 10.1002/Qua.24826 |
0.363 |
|
2014 |
Jin T, Zhang B, Song J, Jiang L, Qiu Y, Zhuang W. Infrared signature of the early stage microsolvation in the NaSO₄⁻(H₂O)₁₋₅ clusters: a simulation study. The Journal of Physical Chemistry. A. 118: 9157-62. PMID 24878274 DOI: 10.1021/Jp5028299 |
0.361 |
|
2014 |
Wu T, Zhang R, Li H, Yang L, Zhuang W. Discriminating trpzip2 and trpzip4 peptides' folding landscape using the two-dimensional infrared spectroscopy: a simulation study. The Journal of Chemical Physics. 140: 055101. PMID 24511982 DOI: 10.1063/1.4863562 |
0.379 |
|
2014 |
Zhang R, Zhuang W. Cation effect in the ionic solution optical Kerr effect measurements: a simulation study. The Journal of Chemical Physics. 140: 054507. PMID 24511952 DOI: 10.1063/1.4863696 |
0.373 |
|
2014 |
Wang T, Zhang R, Wu T, Li H, Zhuang W. Simulating ion clustering in potassium thiocyanate aqueous solutions with various ion-water models Science China Chemistry. 57: 1723-1730. DOI: 10.1007/S11426-014-5244-2 |
0.309 |
|
2013 |
Zhang R, Zhuang W. Effect of ion pairing on the solution dynamics investigated by the simulations of the optical Kerr effect and the dielectric relaxation spectra. The Journal of Physical Chemistry. B. 117: 15395-406. PMID 23875693 DOI: 10.1021/Jp404923Y |
0.362 |
|
2013 |
Bian H, Chen H, Zhang Q, Li J, Wen X, Zhuang W, Zheng J. Cation effects on rotational dynamics of anions and water molecules in alkali (Li+, Na+, K+, Cs+) thiocyanate (SCN-) aqueous solutions. The Journal of Physical Chemistry. B. 117: 7972-84. PMID 23763605 DOI: 10.1021/Jp4016646 |
0.335 |
|
2013 |
Wu T, Yang L, Zhang R, Shao Q, Zhuang W. Modeling the thermal unfolding 2DIR spectra of a β-hairpin peptide based on the implicit solvent MD simulation. The Journal of Physical Chemistry. A. 117: 6256-63. PMID 23496267 DOI: 10.1021/Jp400625A |
0.372 |
|
2013 |
Zhang Q, Xie W, Bian H, Gao YQ, Zheng J, Zhuang W. Microscopic origin of the deviation from Stokes-Einstein behavior observed in dynamics of the KSCN aqueous solutions: a MD simulation study. The Journal of Physical Chemistry. B. 117: 2992-3004. PMID 23414456 DOI: 10.1021/Jp400441E |
0.322 |
|
2012 |
Bian H, Li J, Zhang Q, Chen H, Zhuang W, Gao YQ, Zheng J. Ion segregation in aqueous solutions. The Journal of Physical Chemistry. B. 116: 14426-32. PMID 23181902 DOI: 10.1021/Jp310153N |
0.324 |
|
2012 |
Song J, Gao F, Cui RZ, Shuang F, Liang W, Huang X, Zhuang W. Investigating the structural origin of trpzip2 temperature dependent unfolding fluorescence line shape based on a Markov state model simulation. The Journal of Physical Chemistry. B. 116: 12669-76. PMID 22994891 DOI: 10.1021/Jp304714Q |
0.34 |
|
2012 |
Falvo C, Zhuang W, Kim YS, Axelsen PH, Hochstrasser RM, Mukamel S. Frequency distribution of the amide-I vibration sorted by residues in amyloid fibrils revealed by 2D-IR measurements and simulations. The Journal of Physical Chemistry. B. 116: 3322-30. PMID 22338639 DOI: 10.1021/Jp2096423 |
0.421 |
|
2012 |
Z. Cui R, Silva D, Song J, R. Bowman G, Zhuang W, Huang X. Bridging the Gap Between Optical Spectroscopic Experiments and Computer Simulations for Fast Protein Folding Dynamics Current Physical Chemistry. 2: 45-58. DOI: 10.2174/1877946811202010045 |
0.376 |
|
2011 |
Bian H, Li J, Wen X, Sun Z, Song J, Zhuang W, Zheng J. Mapping molecular conformations with multiple-mode two-dimensional infrared spectroscopy. The Journal of Physical Chemistry. A. 115: 3357-65. PMID 21438508 DOI: 10.1021/Jp200516P |
0.371 |
|
2011 |
Zhuang W, Cui RZ, Silva DA, Huang X. Simulating the T-jump-triggered unfolding dynamics of trpzip2 peptide and its time-resolved IR and two-dimensional IR signals using the Markov state model approach. The Journal of Physical Chemistry. B. 115: 5415-24. PMID 21388153 DOI: 10.1021/Jp109592B |
0.388 |
|
2010 |
Zhuang W, Sgourakis NG, Li Z, Garcia AE, Mukamel S. Discriminating early stage A{beta}42 monomer structures using chirality-induced 2DIR spectroscopy in a simulation study. Proceedings of the National Academy of Sciences of the United States of America. 107: 15687-92. PMID 20798063 DOI: 10.1073/Pnas.1002131107 |
0.517 |
|
2009 |
Sengupta N, Maekawa H, Zhuang W, Toniolo C, Mukamel S, Tobias DJ, Ge NH. Sensitivity of 2D IR spectra to peptide helicity: a concerted experimental and simulation study of an octapeptide. The Journal of Physical Chemistry. B. 113: 12037-49. PMID 19496555 DOI: 10.1021/Jp901504R |
0.54 |
|
2009 |
Zhuang W, Hayashi T, Mukamel S. Coherent multidimensional vibrational spectroscopy of biomolecules: concepts, simulations, and challenges. Angewandte Chemie (International Ed. in English). 48: 3750-81. PMID 19415637 DOI: 10.1002/Anie.200802644 |
0.572 |
|
2009 |
Mukamel S, Abramavicius D, Yang L, Zhuang W, Schweigert IV, Voronine DV. Coherent multidimensional optical probes for electron correlations and exciton dynamics: from NMR to X-rays. Accounts of Chemical Research. 42: 553-62. PMID 19323494 DOI: 10.1021/Ar800258Z |
0.745 |
|
2009 |
Zhuang W, Hayashi T, Mukamel S. Kohärente mehrdimensionale Schwingungsspektroskopie von Biomolekülen: Konzepte, Simulationen und Herausforderungen Angewandte Chemie. 121: 3804-3838. DOI: 10.1002/Ange.200802644 |
0.346 |
|
2008 |
Falvo C, Hayashi T, Zhuang W, Mukamel S. Coherent two dimensional infrared spectroscopy of a cyclic decapeptide antamanide. A simulation study of the amide-I and A bands. The Journal of Physical Chemistry. B. 112: 12479-90. PMID 18781709 DOI: 10.1021/Jp801493Y |
0.544 |
|
2008 |
Li Z, Yu H, Zhuang W, Mukamel S. Geometry and Excitation Energy Fluctuations of NMA in Aqueous Solution with CHARMM, AMBER, OPLS, and GROMOS Force Fields: Implications for Protein Ultraviolet Spectra Simulation. Chemical Physics Letters. 452: 78-83. PMID 18438457 DOI: 10.1016/J.Cplett.2007.12.022 |
0.458 |
|
2008 |
Lorenz VO, Mukamel S, Zhuang W, Cundiff ST. Ultrafast optical spectroscopy of spectral fluctuations in a dense atomic vapor. Physical Review Letters. 100: 013603. PMID 18232760 DOI: 10.1103/Physrevlett.100.013603 |
0.497 |
|
2008 |
Wang J, Zhuang W, Mukamel S, Hochstrasser R. Two-dimensional infrared spectroscopy as a probe of the solvent electrostatic field for a twelve residue peptide. The Journal of Physical Chemistry. B. 112: 5930-7. PMID 18078331 DOI: 10.1021/Jp075683K |
0.5 |
|
2007 |
Li Z, Abramavicius D, Zhuang W, Mukamel S. Two Dimensional Electronic Correlation Spectroscopy of the npi* and pipi* Protein Backbone Transitions: A Simulation Study. Chemical Physics. 341: 29-36. PMID 19011677 DOI: 10.1016/J.Chemphys.2007.03.029 |
0.671 |
|
2007 |
Volkov VV, Chelli R, Zhuang W, Nuti F, Takaoka Y, Papini AM, Mukamel S, Righini R. Electrostatic interactions in phospholipid membranes revealed by coherent 2D IR spectroscopy. Proceedings of the National Academy of Sciences of the United States of America. 104: 15323-7. PMID 17881567 DOI: 10.1073/Pnas.0706426104 |
0.433 |
|
2007 |
Zhuang W, Abramavicius D, Voronine DV, Mukamel S. Simulation of two-dimensional infrared spectroscopy of amyloid fibrils. Proceedings of the National Academy of Sciences of the United States of America. 104: 14233-6. PMID 17675411 DOI: 10.1073/Pnas.0700392104 |
0.673 |
|
2007 |
Mukamel S, Zhuang W, Abramavicius D, Hayashi T, Voronine D. Coherent Nonlinear Optical Spectroscopy of Proteins: Femtosecond Analogues of Multidimensional NMR Frontiers in Optics. DOI: 10.1364/Fio.2007.Ftha1 |
0.756 |
|
2006 |
Zhuang W, Abramavicius D, Mukamel S. Two-dimensional vibrational optical probes for peptide fast folding investigation. Proceedings of the National Academy of Sciences of the United States of America. 103: 18934-8. PMID 17146054 DOI: 10.1073/Pnas.0606912103 |
0.679 |
|
2006 |
Zhuang W, Abramavicius D, Hayashi T, Mukamel S. Simulation protocols for coherent femtosecond vibrational spectra of peptides. The Journal of Physical Chemistry. B. 110: 3362-74. PMID 16494351 DOI: 10.1021/Jp055813U |
0.671 |
|
2006 |
Abramavicius D, Zhuang W, Mukamel S. Probing molecular chirality via excitonic nonlinear response Journal of Physics B: Atomic, Molecular and Optical Physics. 39: 5051-5066. DOI: 10.1088/0953-4075/39/24/003 |
0.656 |
|
2005 |
Hayashi T, la Cour Jansen T, Zhuang W, Mukamel S. Collective solvent coordinates for the infrared spectrum of HOD in D2O based on an ab initio electrostatic map. The Journal of Physical Chemistry. A. 109: 64-82. PMID 16839090 DOI: 10.1021/Jp046685X |
0.496 |
|
2005 |
Hayashi T, Zhuang W, Mukamel S. Electrostatic DFT map for the complete vibrational amide band of NMA. The Journal of Physical Chemistry. A. 109: 9747-59. PMID 16833288 DOI: 10.1021/Jp052324L |
0.49 |
|
2005 |
Jansen Tl, Hayashi T, Zhuang W, Mukamel S. Stochastic Liouville equations for hydrogen-bonding fluctuations and their signatures in two-dimensional vibrational spectroscopy of water. The Journal of Chemical Physics. 123: 114504. PMID 16392570 DOI: 10.1063/1.2008251 |
0.634 |
|
2005 |
Mukamel S, Zhuang W. Coherent femtosecond multidimensional probes of molecular vibrations. Proceedings of the National Academy of Sciences of the United States of America. 102: 13717-8. PMID 16172375 DOI: 10.1073/Pnas.0506874102 |
0.49 |
|
2005 |
Zhuang W, Abramavicius D, Mukamel S. Dissecting coherent vibrational spectra of small proteins into secondary structural elements by sensitivity analysis. Proceedings of the National Academy of Sciences of the United States of America. 102: 7443-8. PMID 15894625 DOI: 10.1073/Pnas.0408781102 |
0.669 |
|
2004 |
Jansen Tl, Zhuang W, Mukamel S. Stochastic Liouville equation simulation of multidimensional vibrational line shapes of trialanine. The Journal of Chemical Physics. 121: 10577-98. PMID 15549941 DOI: 10.1063/1.1807824 |
0.639 |
|
2004 |
Abramavicius D, Zhuang W, Mukamel S. Peptide Secondary Structure Determination by Three-Pulse Coherent Vibrational Spectroscopies: A Simulation Study The Journal of Physical Chemistry B. 108: 18034-18045. DOI: 10.1021/Jp047711U |
0.652 |
|
2004 |
Zhuang W, Dellago C. Dissociation of hydrogen chloride and proton transfer in liquid glycerol: An ab initio molecular dynamics study Journal of Physical Chemistry B. 108: 19647-19656. DOI: 10.1021/Jp047676R |
0.325 |
|
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