Accurate prediction of B-form/A-form DNA conformation propensity from primary sequence: A machine learning and free energy handshake.
PMID:34553171
Ion Binding Properties and Dynamics of the bcl-2 G-Quadruplex Using a Polarizable Force Field.
PMID:33264004
Biologically important conformational features of DNA as interpreted by quantum mechanics and molecular mechanics computations of its simple fragments.
PMID:29392428
A DNA structural alphabet provides new insight into DNA flexibility.
PMID:29372899
A DNA Structural Alphabet Distinguishes Structural Features of DNA Bound to Regulatory Proteins and in the Nucleosome Core Particle.
PMID:29057824
Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics.
PMID:28399366
Assessing the Current State of Amber Force Field Modifications for DNA.
PMID:27300587
DNATCO: assignment of DNA conformers at dnatco.org.
PMID:27150812
Protein flexibility in the light of structural alphabets.
PMID:26075209
Bioinformatic analysis of the protein/DNA interface.
PMID:24335080