| The SAMPL4 host–guest blind prediction challenge: an overview HS Muddana, AT Fenley, DL Mobley, MK Gilson Journal of Computer-Aided Molecular Design 28 (4), 305-317, 2014 | 209 | 2014 |
| Analytical electrostatics for biomolecules: Beyond the generalized Born approximation G Sigalov, A Fenley, A Onufriev The Journal of chemical physics 124, 124902, 2006 | 175 | 2006 |
| Entropy–enthalpy transduction caused by conformational shifts can obscure the forces driving protein–ligand binding AT Fenley, HS Muddana, MK Gilson Proceedings of the National Academy of Sciences 109 (49), 20006-20011, 2012 | 142 | 2012 |
| The Carmaphycins: New Proteasome Inhibitors Exhibiting an α, β‐Epoxyketone Warhead from a Marine Cyanobacterium AR Pereira, AJ Kale, AT Fenley, T Byrum, HM Debonsi, MK Gilson, ... ChemBioChem, 2012 | 140 | 2012 |
| Computational Calorimetry: High-Precision Calculation of Host–Guest Binding Thermodynamics NM Henriksen, AT Fenley, MK Gilson Journal of Chemical Theory and Computation 11 (9), 4377-4394, 2015 | 128 | 2015 |
| Bridging calorimetry and simulation through precise calculations of cucurbituril-guest binding enthalpies AT Fenley, NM Henriksen, HS Muddana, MK Gilson Journal of Chemical Theory and Computation 10 (9), 4069-4078, 2014 | 112 | 2014 |
| Modulation of nucleosomal DNA accessibility via charge-altering post-translational modifications in histone core AT Fenley*, R Anandakrishnan*, YH Kidane, AV Onufriev Epigentics & Chromatin 11 (11), 2018 | 105 | 2018 |
| Charge state of the globular histone core controls stability of the nucleosome AT Fenley, DA Adams, AV Onufriev Biophysical journal 99 (5), 1577-1585, 2010 | 99 | 2010 |
| Charge Hydration Asymmetry: The Basic Principle and How To Use It To Test and Improve Water Models A Mukhopadhyay*, AT Fenley*, IS Tolokh*, AV Onufriev The Journal of Physical Chemistry B, 2012 | 86 | 2012 |
| Connecting protein and mRNA burst distributions for stochastic models of gene expression V Elgart, T Jia, AT Fenley, R Kulkarni Physical biology 8 (4), 046001, 2011 | 77 | 2011 |
| An analytical approach to computing biomolecular electrostatic potential. II. Validation and applications JC Gordon, AT Fenley, A Onufriev The Journal of chemical physics 129, 075102, 2008 | 52 | 2008 |
| An analytical approach to computing biomolecular electrostatic potential. I. Derivation and analysis AT Fenley, JC Gordon, A Onufriev The Journal of chemical physics 129, 075101, 2008 | 48 | 2008 |
| Toward Improved Force-Field Accuracy through Sensitivity Analysis of Host-Guest Binding Thermodynamics J Yin*, AT Fenley*, NM Henriksen, MK Gilson The Journal of Physical Chemistry B 119 (32), 10145–10155, 2015 | 44 | 2015 |
| The SAMPL4 hydration challenge: evaluation of partial charge sets with explicit-water molecular dynamics simulations HS Muddana, NV Sapra, AT Fenley, MK Gilson Journal of Computer-Aided Molecular Design 28 (3), 277-287, 2014 | 43 | 2014 |
| Binding Enthalpy Calculations for a Neutral Host-Guest Pair Yield Widely Divergent Salt Effects across Water Models K Gao, J Yin, NM Henriksen, AT Fenley, MK Gilson Journal of Chemical Theory and Computation 11 (10), 4555–4564, 2015 | 41 | 2015 |
| Correlation as a Determinant of Configurational Entropy in Supramolecular and Protein Systems AT Fenley*, BJ Killian*, V Hnizdo, A Fedorowicz, DS Sharp, MK Gilson The Journal of Physical Chemistry B 118 (24), 6447-6455, 2014 | 40 | 2014 |
| Accelerating electrostatic surface potential calculation with multi-scale approximation on graphics processing units R Anandakrishnan, TRW Scogland, AT Fenley, JC Gordon, W Feng, ... Journal of Molecular Graphics and Modelling 28 (8), 904-910, 2010 | 36 | 2010 |
| Blind prediction of SAMPL4 cucurbit[7]uril binding affinities with the mining minima method HS Muddana, J Yin, NV Sapra, AT Fenley, MK Gilson Journal of Computer-Aided Molecular Design 28 (4), 463-474, 2014 | 24 | 2014 |
| A model for signal transduction during quorum sensing in Vibrio harveyi SK Banik*, AT Fenley*, RV Kulkarni Physical biology 6, 046008, 2009 | 24 | 2009 |
| The electrostatic response of water to neutral polar solutes: Implications for continuum solvent modeling HS Muddana, NV Sapra, AT Fenley, MK Gilson The Journal of Chemical Physics 138 (22), 2013 | 22 | 2013 |
Michael K GilsonUniversity of California San DiegoPreverjeni e-poštni naslov na health.ucsd.edu
