Understanding the effect of solvent environment on the interaction of hydronium ion with biomass derived species: A Molecular Dynamics and Metadynamics investigation

The effect of solvent environment on the conformation and stability of human polyclonal IgG in solution

Biologicals ◽

10.1016/j.biologicals.2005.06.007 ◽

2006 ◽

Vol 34 (1) ◽

pp. 5-14 ◽

Cited By ~ 52

Author(s):

Árpád Szenczi ◽

József Kardos ◽

György A. Medgyesi ◽

Péter Závodszky

Keyword(s):

Effect Of Solvent ◽

Polyclonal Igg ◽

Solvent Environment

Molecular Dynamics Simulations of Polyelectrolyte−Polyampholyte Complexes. Effect of Solvent Quality and Salt Concentration

The Journal of Physical Chemistry B ◽

10.1021/jp064288b ◽

2006 ◽

Vol 110 (48) ◽

pp. 24652-24665 ◽

Cited By ~ 38

Author(s):

Junhwan Jeon ◽

Andrey V. Dobrynin

Keyword(s):

Molecular Dynamics ◽

Salt Concentration ◽

Effect Of Solvent ◽

Solvent Quality ◽

ChemInform Abstract: THE EFFECT OF SOLVENT ENVIRONMENT ON MOLECULAR ELECTRONIC OSCILLATOR STRENGTHS

Chemischer Informationsdienst ◽

10.1002/chin.198111047 ◽

1981 ◽

Vol 12 (11) ◽

Author(s):

A. B. MYERS ◽

R. R. BIRGE

Keyword(s):

Oscillator Strengths ◽

Molecular Electronic ◽

Effect Of Solvent ◽

Solvent Environment ◽

Electronic Oscillator

Molecular Dynamics Studies on the Effect of Surface Roughness and Surface Tension on the Thermodynamics and Dynamics of Hydronium Ion Transfer Across the Liquid/Liquid Interface

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c06304 ◽

2020 ◽

Vol 124 (39) ◽

pp. 8711-8718

Author(s):

Ilan Benjamin

Keyword(s):

Molecular Dynamics ◽

Surface Tension ◽

Surface Roughness ◽

Liquid Interface ◽

Ion Transfer ◽

Hydronium Ion ◽

Thermodynamics And Dynamics ◽

Effect Of Surface

Quantifying the Stability of the Hydronium Ion in Organic Solvents With Molecular Dynamics Simulations

Frontiers in Chemistry ◽

10.3389/fchem.2019.00439 ◽

2019 ◽

Vol 7 ◽

Cited By ~ 3

Author(s):

Alex K. Chew ◽

Reid C. Van Lehn

Keyword(s):

Molecular Dynamics ◽

Organic Solvents ◽

Hydronium Ion ◽

The Stability ◽

Effect of solvent polarization on the reorganization energy of electron transfer from molecular dynamics simulations

10.1063/1.3013456 ◽

2008 ◽

Vol 129 (19) ◽

pp. 194515 ◽

Cited By ~ 17

Author(s):

Egor Vladimirov ◽

Anela Ivanova ◽

Notker Rösch

Keyword(s):

Molecular Dynamics ◽

Electron Transfer ◽

Reorganization Energy ◽

Effect Of Solvent ◽

Dynamics Simulations ◽

Solvent Polarization

Molecular dynamics simulations of ribonuclease T1: analysis of the effect of solvent on the structure, fluctuations, and active site of the free enzyme

Biochemistry ◽

10.1021/bi00412a049 ◽

1988 ◽

Vol 27 (12) ◽

pp. 4547-4556 ◽

Cited By ~ 37

Author(s):

Alexander D. MacKerell ◽

Lennart Nilsson ◽

Rudolf Rigler ◽

Wolfram Saenger

Keyword(s):

Molecular Dynamics ◽

Active Site ◽

Free Enzyme ◽

Ribonuclease T1 ◽

Effect Of Solvent ◽

The effect of solvent environment on molecular electronic oscillator strengths

10.1063/1.439961 ◽

1980 ◽

Vol 73 (10) ◽

pp. 5314-5321 ◽

Cited By ~ 80

Author(s):

Anne B. Myers ◽

Robert R. Birge

Keyword(s):

Oscillator Strengths ◽

Molecular Electronic ◽

Effect Of Solvent ◽

Solvent Environment ◽

Electronic Oscillator

Effect of bound state of water on hydronium ion mobility in hydrated Nafion using molecular dynamics simulations

10.1063/1.4894813 ◽

2014 ◽

Vol 141 (10) ◽

pp. 104904 ◽

Cited By ~ 36

Author(s):

Takuya Mabuchi ◽

Takashi Tokumasu

Keyword(s):

Molecular Dynamics ◽

Ion Mobility ◽

Bound State ◽

Hydronium Ion ◽

State Of Water ◽

Comments on ‘‘The effect of solvent environment on molecular electronic oscillator strengths’’

10.1063/1.443911 ◽

1982 ◽

Vol 77 (2) ◽

pp. 1074-1074 ◽

Cited By ~ 6

Author(s):

Takehiro Abe

Keyword(s):

Oscillator Strengths ◽

Molecular Electronic ◽

Effect Of Solvent ◽

Solvent Environment ◽

Electronic Oscillator