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Publications by Krystyna Zakrzewska
Multistep Drug Intercalation: Molecular Dynamics and Free Energy Studies of the Binding of Daunomycin to DNA
Journal of the American Chemical Society
Biochemistry
Colloid
Catalysis
Chemistry
Surface Chemistry
Theoretical Studies of the Selective Binding to DNA of Two Non-Intercalating Ligands: Netropsin and SN 18071
Nucleic Acids Research
Genetics
Related publications
Femtosecond Dynamics of a Drug-Protein Complex: Daunomycin With Apo Riboflavin-Binding Protein
Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
Reshaping the Energy Landscape Transforms the Mechanism and Binding Kinetics of DNA Threading Intercalation
Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist Using Molecular Dynamics Simulations, Binding Free Energy Calculations and Mutagenesis
Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist Using Molecular Dynamics Simulations, Binding Free Energy Calculations and Mutagenesis
Probing Difference in Binding Modes of Inhibitors to MDMX by Molecular Dynamics Simulations and Different Free Energy Methods
PLoS ONE
Multidisciplinary
Free Energy Perturbation Hamiltonian Replica-Exchange Molecular Dynamics (FEP/H-REMD) for Absolute Ligand Binding Free Energy Calculations
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
A Geometric Approach to Constrained Molecular Dynamics and Free Energy
Communications in Mathematical Sciences
Mathematics
Applied Mathematics
Improved Sampling in Molecular Dynamics Studies of DNA and the B to Z[WC] to Z-Dna Transition
Biophysical Journal
Biophysics
Investigations on Binding Pattern of Kinase Inhibitors With PPARγ: Molecular Docking, Molecular Dynamic Simulations, and Free Energy Calculation Studies
PPAR Research
Drug Discovery
Pharmacology
