Concepedia

Pka Shift Analysis

pKa Shift Analysis is a computational or experimental method that quantifies changes in the acid dissociation constant (pKa) of a molecule or functional group under varying chemical or environmental conditions to elucidate underlying electronic, structural, or solvent effects.

60

Publications

3.2K

Citations

233

Authors

86

Institutions

Publications per year

2017–2026

15

Parents

Publications

60

Activation and Stabilization of Drugs by Supramolecular p<i>K</i><sub>a</sub> Shifts: Drug‐Delivery Applications Tailored for Cucurbiturils

Na’il Saleh, Apurba Lal Koner, Werner M. Nau · Angewandte Chemie International Edition · 2008 · 255 citations

, , +12

pKa values in organic chemistry – Making maximum use of the available data

Agnes Kütt, Sigrid Selberg, Ivari Kaljurand et al. · Tetrahedron Letters · 2018 · 210 citations

, , +16

p<i>K</i><sub>a</sub>Calculations in Solution and Proteins with QM/MM Free Energy Perturbation Simulations:  A Quantitative Test of QM/MM Protocols

Demian Riccardi, Patricia Schaefer, Qiang Cui · The Journal of Physical Chemistry B · 2005 · 168 citations

, , +17

Benchmarking pKa prediction

Matthew N Davies, Christopher P. Toseland, David S. Moss et al. · BMC Biochemistry · 2006 · 142 citations · Full text

, , +12

Deciphering the molecular mechanism responsible for GCaMP6m's Ca2+-dependent change in fluorescence

Lauren M. Barnett, Thomas E. Hughes, Mikhail Drobizhev · PLoS ONE · 2017 · 138 citations · Full text

, , +17

1–5 of 60

Authors

233

  1. DW
    Dan W. Urry

    University of Alabama at Birmingham, United States

    4 publications · 134 citations

    4

    h-index

  2. QC
    Qiang Cui

    University of Wisconsin–Madison, United States

    3 publications · 284 citations

    3

    h-index

  3. TM
    Timothy M. Parker

    University of Alabama at Birmingham, United States

    3 publications · 113 citations

    3

    h-index

  4. SQ
    Shao Qing Peng

    University of Alabama at Birmingham, United States

    3 publications · 82 citations

    3

    h-index

  5. AL
    Apurba Lal Koner

    Indian Institute of Science Education and Research, Bhopal, India

    2 publications · 307 citations

    2

    h-index

1–5 of 233

Institutions

86

  1. University of Wisconsin–Madison

    Madison, United States

    3 h-index

    7 publications

    736 citations

  2. University of Liverpool

    Liverpool, United Kingdom

    2 h-index

    4 publications

    118 citations

  3. Bhabha Atomic Research Centre

    Mumbai, India

    2 h-index

    13 publications

    387 citations

  4. McMaster University

    Hamilton, Canada

    2 h-index

    3 publications

    130 citations

  5. The University of Tokyo

    Tokyo, Japan

    2 h-index

    4 publications

    368 citations

  6. University of Alabama at Birmingham

    Birmingham, United States

    2 h-index

    8 publications

    288 citations

  7. University of Macau

    Macao, Macao

    2 h-index

    4 publications

    113 citations

  8. Constructor University

    Bremen, Germany

    2 h-index

    4 publications

    614 citations

1–8 of 86

Venues

  1. Journal of the American Chemical Society

    JACS · 7 publications · 267 citations

    7

    h-index

  2. The Journal of Physical Chemistry B

    6 publications · 447 citations

    6

    h-index

  3. Chemical Physics Letters

    3 publications · 76 citations

    3

    h-index

  4. Journal of Chemical Education

    2 publications · 90 citations

    2

    h-index

  5. PLoS ONE

    2 publications · 149 citations

    2

    h-index

1–5