Andrew T. Fenley

Virginia Tech — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

19h-index1.6kcitations45works0.02yr avg
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Research Topics

Protein Structure and Dynamics(21), Spectroscopy and Quantum Chemical Studies(11), DNA and Nucleic Acid Chemistry(8), Bacterial biofilms and quorum sensing(7), Genomics and Chromatin Dynamics(5)

Publications45 total

The nucleosome: from structure to function through physics
Biopolymers and Cell·2019· 1 citedOpen Access
Modulation of nucleosomal DNA accessibility via charge-altering post-translational modifications in histone core
Epigenetics & Chromatin·2018· 98 citedOpen Access
Erratum: “The electrostatic response of water to neutral polar solutes: Implications for continuum solvent modeling” [J. Chem. Phys. <b>138</b>, 224504 (2013)]
The Journal of Chemical Physics·2016Open Access
Evaluation of Representations and Response Models for Polarizable Force Fields
The Journal of Physical Chemistry B·2016· 9 citedOpen Access
Binding Enthalpy Calculations for a Neutral Host–Guest Pair Yield Widely Divergent Salt Effects across Water Models
Journal of Chemical Theory and Computation·2015· 49 citedOpen Access
Computational Calorimetry: High-Precision Calculation of Host–Guest Binding Thermodynamics
Journal of Chemical Theory and Computation·2015· 134 citedOpen Access
Toward Improved Force-Field Accuracy through Sensitivity Analysis of Host-Guest Binding Thermodynamics
The Journal of Physical Chemistry B·2015· 44 citedOpen Access
Calculation and Visualization of Atomistic Mechanical Stresses in Nanomaterials and Biomolecules
PLoS ONE·2014· 18 citedOpen Access
Modeling of Signal Transduction by the Quorum-Sensing Pathway in the Vibrios
Biological and medical physics, biomedical engineering·2014
Bridging Calorimetry and Simulation through Precise Calculations of Cucurbituril–Guest Binding Enthalpies
Journal of Chemical Theory and Computation·2014· 103 citedOpen Access
Correlation as a Determinant of Configurational Entropy in Supramolecular and Protein Systems
The Journal of Physical Chemistry B·2014· 43 citedOpen Access
The SAMPL4 host–guest blind prediction challenge: an overview
Journal of Computer-Aided Molecular Design·2014· 203 citedOpen Access
Blind prediction of SAMPL4 cucurbit[7]uril binding affinities with the mining minima method
Journal of Computer-Aided Molecular Design·2014· 19 cited
The SAMPL4 hydration challenge: evaluation of partial charge sets with explicit-water molecular dynamics simulations
Journal of Computer-Aided Molecular Design·2014· 42 citedOpen Access
Bridging Simulations and Calorimetry: Computational Studies of Binding Thermodynamics and Entropy-Enthalpy Transduction
Biophysical Journal·2014· 1 citedOpen Access
Calculation and Visualization of Atomistic Mechanical Stresses in Biomolecules
Biophysical Journal·2014Open Access
Nucleosome Stability is Controlled by the Charge of its Globular Core: Implications for the Biological Function
Biophysical Journal·2014Open Access
The electrostatic response of water to neutral polar solutes: Implications for continuum solvent modeling
The Journal of Chemical Physics·2013· 20 citedOpen Access
CCDC 855711: Experimental Crystal Structure Determination
The Cambridge Structural Database·2013Open Access
Atomic Stress Propagation Reveals Allosteric Pathways in Proteins
Biophysical Journal·2013Open Access
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Frequent Co-authors

Michael K. Gilson(19), Alexey V. Onufriev(15), Hari S. Muddana(11), Rahul Kulkarni(9), Suman Kumar Banik(7), John Gordon(5), Niel M. Henriksen(4), Ramu Anandakrishnan(4), Neil V. Sapra(4), Abhishek Mukhopadhyay(3), Igor S. Tolokh(3), Jian Yin(3), Tara Byrum(2), William H. Gerwick(2), Yared H. Kidane(2), Vlad Elgart(2), Tao Jia(2), David R. Adams(2), David L. Mobley(1), Grigori Sigalov(1)