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Molecular dynamics simulation or structure refinement of proteins: are solvent molecules required? A case study using hen lysozyme

European biophysics journal, 2022-04, Vol.51 (3), p.265-282

2022

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extended dynamical hydration shell around proteins

Proceedings of the National Academy of Sciences - PNAS, 2007-12, Vol.104 (52), p.20749-20752

2007

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Characterization of Novel Polymer-Based Pyridine Stationary Phases for Supercritical Fluid Chromatography

Chromatographia, 2019-01, Vol.82 (1), p.143-152

2019

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Solvent Role of Ionic Liquids in Fundamental Chemical Reaction Dynamics Analyzed by Time‐Resolved Spectroscopy

Chemical record, 2023-08, Vol.23 (8), p.e202200242-n/a

2023

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Net charge per residue modulates conformational ensembles of intrinsically disordered proteins

Proceedings of the National Academy of Sciences - PNAS, 2010-05, Vol.107 (18), p.8183-8188

2010

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Characterization of five chemistries and three particle sizes of stationary phases used in supercritical fluid chromatography

Journal of Chromatography A, 2013-12, Vol.1319, p.148-159

2013

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Anion solvation enhanced by positive supercharging mutations preserves thermal stability of an antibody in a wide pH range

Biochemical and biophysical research communications, 2021-07, Vol.563, p.54-59

2021

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Validating Solution Ensembles from Molecular Dynamics Simulation by Wide-Angle X-ray Scattering Data

Biophysical journal, 2014-07, Vol.107 (2), p.435-447

2014

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Enthalpy–entropy compensation: the role of solvation

European biophysics journal, 2017-05, Vol.46 (4), p.301-308

2017

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Dynamic Stokes shift in green fluorescent protein variants

Proceedings of the National Academy of Sciences - PNAS, 2007-12, Vol.104 (51), p.20189-20194

2007

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Hydration dynamics at fluorinated protein surfaces

Proceedings of the National Academy of Sciences - PNAS, 2010-10, Vol.107 (40), p.17101-17106

2010

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Characterization of three macrocyclic glycopeptide stationary phases in supercritical fluid chromatography

Journal of Chromatography A, 2019-10, Vol.1604, p.460485, Article 460485

2019

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The Molecular Basis for the Chemical Denaturation of Proteins by Urea

Proceedings of the National Academy of Sciences - PNAS, 2003-04, Vol.100 (9), p.5142-5147

2003

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Solvation in protein (un)folding of melittin tetramer-monomer transition

Proceedings of the National Academy of Sciences - PNAS, 2009-08, Vol.106 (31), p.12593-12598

2009

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Mapping hydration dynamics around a protein surface

Proceedings of the National Academy of Sciences - PNAS, 2007-11, Vol.104 (47), p.18461-18466

2007

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Molecular dynamics studies of native and substituted cyclodextrins in different media: 1. Charge derivation and force field performances

Physical chemistry chemical physics : PCCP, 2011-09, Vol.13 (33), p.15103-15121

2011

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Coil-Globule Transition in the Denatured State of a Small Protein

Proceedings of the National Academy of Sciences - PNAS, 2006-08, Vol.103 (31), p.11539-11543

2006

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Higher enantioselectivities in thiourea-catalyzed Michael additions under solvent-free conditions

Tetrahedron, 2014-01, Vol.70 (4), p.901-905

2014

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Direct Observation of Thymine Dimer Repair in DNA by Photolyase

Proceedings of the National Academy of Sciences - PNAS, 2005-11, Vol.102 (45), p.16128-16132

2005

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Design, synthesis and evaluation of a series of alkylsiloxane-bonded stationary phases for expanded supercritical fluid chromatography separations

Journal of Chromatography A, 2019-05, Vol.1593, p.127-134

2019

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Crystal structure and thermodynamic dissection of chitin oligosaccharide binding to the LysM module of chitinase-A from Pteris ryukyuensis

Biochemical and biophysical research communications, 2017-12, Vol.494 (3-4), p.736-741

2017

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Computational Analysis of Solute–Solvent Coupling Magnitude in the Z/E Isomerization Reaction of Nitroazobenzene and Benzylideneanilines

Journal of solution chemistry, 2018, Vol.47 (1), p.127-139

2018

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Oxidative addition transition states of Pd(0) complexes in polar solvent—a DFT study involving implicit and explicit solvation

Tetrahedron, 2013-07, Vol.69 (27-28), p.5715-5718

2013

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Solvation of Metal Cations in Non-aqueous Liquids

Journal of solution chemistry, 2011-09, Vol.40 (8), p.1383-1398

2011

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Protein Surface Hydration Mapped by Site-Specific Mutations

Proceedings of the National Academy of Sciences - PNAS, 2006-09, Vol.103 (38), p.13979-13984

2006

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Molecular dynamics simulation or structure refinement of proteins: are solvent molecules required? A case study using hen lysozyme

extended dynamical hydration shell around proteins

Characterization of Novel Polymer-Based Pyridine Stationary Phases for Supercritical Fluid Chromatography

Solvent Role of Ionic Liquids in Fundamental Chemical Reaction Dynamics Analyzed by Time‐Resolved Spectroscopy

Net charge per residue modulates conformational ensembles of intrinsically disordered proteins

Characterization of five chemistries and three particle sizes of stationary phases used in supercritical fluid chromatography

Anion solvation enhanced by positive supercharging mutations preserves thermal stability of an antibody in a wide pH range

Validating Solution Ensembles from Molecular Dynamics Simulation by Wide-Angle X-ray Scattering Data

Enthalpy–entropy compensation: the role of solvation

Dynamic Stokes shift in green fluorescent protein variants

Hydration dynamics at fluorinated protein surfaces

Characterization of three macrocyclic glycopeptide stationary phases in supercritical fluid chromatography

The Molecular Basis for the Chemical Denaturation of Proteins by Urea

Solvation in protein (un)folding of melittin tetramer-monomer transition

Mapping hydration dynamics around a protein surface

Molecular dynamics studies of native and substituted cyclodextrins in different media: 1. Charge derivation and force field performances

Coil-Globule Transition in the Denatured State of a Small Protein

Higher enantioselectivities in thiourea-catalyzed Michael additions under solvent-free conditions

Direct Observation of Thymine Dimer Repair in DNA by Photolyase

Design, synthesis and evaluation of a series of alkylsiloxane-bonded stationary phases for expanded supercritical fluid chromatography separations

Crystal structure and thermodynamic dissection of chitin oligosaccharide binding to the LysM module of chitinase-A from Pteris ryukyuensis

Computational Analysis of Solute–Solvent Coupling Magnitude in the Z/E Isomerization Reaction of Nitroazobenzene and Benzylideneanilines

Oxidative addition transition states of Pd(0) complexes in polar solvent—a DFT study involving implicit and explicit solvation

Solvation of Metal Cations in Non-aqueous Liquids

Protein Surface Hydration Mapped by Site-Specific Mutations

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