De novo determination of near-surface electrostatic potentials by NMR

Quantitative Interpretation of Solvent Paramagnetic Relaxation for Probing Protein–Cosolute Interactions

(2020) Yusuke Okuno et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dynamics of Ionic Interactions at Protein–Nucleic Acid Interfaces

(2020) Binhan Yu et al.   ACCOUNTS OF CHEMICAL RESEARCH

UCSF ChimeraX : Structure visualization for researchers, educators, and developers

(2020) Eric F. Pettersen et al.   PROTEIN SCIENCE

Quantifying and visualizing weak interactions between anions and proteins

(2020) Binhan Yu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Quantitative Studies of an RNA Duplex Electrostatics by Ion Counting

(2019) Magdalena Gebala et al.   BIOPHYSICAL JOURNAL

Detecting Counterion Dynamics in DNA-Protein Association

(2019) Channing C. Pletka et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electrostatic Interactions in Protein Structure, Folding, Binding, and Condensation

(2018) Huan-Xiang Zhou et al.   CHEMICAL REVIEWS

Improvements to the APBS biomolecular solvation software suite

(2017) Elizabeth Jurrus et al.   PROTEIN SCIENCE

Does Cation Size Affect Occupancy and Electrostatic Screening of the Nucleic Acid Ion Atmosphere?

(2016) Magdalena Gebala et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Contemporary NMR Studies of Protein Electrostatics

(2015) Mathias A.S. Hass et al.   Annual Review of Biophysics

Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate

(2015) Levani Zandarashvili et al.   BIOPHYSICAL JOURNAL

NMRFAM-SPARKY: enhanced software for biomolecular NMR spectroscopy

(2014) Woonghee Lee et al.   BIOINFORMATICS

On the Dielectric “Constant” of Proteins: Smooth Dielectric Function for Macromolecular Modeling and Its Implementation in DelPhi

(2013) Lin Li et al.   Journal of Chemical Theory and Computation

Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase

(2012) A. T. Fafarman et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

DelPhi: a comprehensive suite for DelPhi software and associated resources

(2012) Lin Li et al.   BMC Biophysics

PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKaPredictions

(2011) Mats H. M. Olsson et al.   Journal of Chemical Theory and Computation

Simulating electrostatic energies in proteins: Perspectives and some recent studies of pKas, redox, and other crucial functional properties

(2011) Arieh Warshel et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

The pKa Cooperative: A collaborative effort to advance structure-based calculations of pKa values and electrostatic effects in proteins

(2011) Jens E. Nielsen et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Theory, Practice, and Applications of Paramagnetic Relaxation Enhancement for the Characterization of Transient Low-Population States of Biological Macromolecules and Their Complexes

(2009) G. Marius Clore et al.   CHEMICAL REVIEWS

Continuum molecular electrostatics, salt effects, and counterion binding—A review of the Poisson–Boltzmann theory and its modifications

(2007) Paweł Grochowski et al.   BIOPOLYMERS