Volodymyr Babin

Moradi, M., Babin, V., Roland, C., & Sagui, C. (2015). The Adaptively Biased Molecular Dynamics method revisited: New capabilities and an application. XXVI IUPAP CONFERENCE ON COMPUTATIONAL PHYSICS (CCP2014), Vol. 640. https://doi.org/10.1088/1742-6596/640/1/012020

Babin, V., Wang, D., Rose, R. B., & Sagui, C. (2013). Binding Polymorphism in the DNA Bound State of the Pdx1 Homeodomain. PLOS COMPUTATIONAL BIOLOGY, 9(8). https://doi.org/10.1371/journal.pcbi.1003160

Moradi, M., Babin, V., Roland, C., & Sagui, C. (2010). A classical molecular dynamics investigation of the free energy and structure of short polyproline conformers. JOURNAL OF CHEMICAL PHYSICS, 133(12). https://doi.org/10.1063/1.3481087

Babin, V., & Sagui, C. (2010). Conformational free energies of methyl-alpha-L-iduronic and methyl-beta-D-glucuronic acids in water. JOURNAL OF CHEMICAL PHYSICS, 132(10). https://doi.org/10.1063/1.3355621

Moradi, M., Lee, J. G., Babin, V., Roland, C., & Sagui, C. (2010). Free energy and structure of polyproline peptides: An ab initio and classical molecular dynamics investigation. International Journal of Quantum Chemistry, 110(15), 2865–2879.

Babin, V., Karpusenka, V., Moradi, M., Roland, C., & Sagui, C. (2009, December). Adaptively Biased Molecular Dynamics: An Umbrella Sampling Method With a Time-Dependent Potential. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 109, pp. 3666–3678. https://doi.org/10.1002/qua.22413

Moradi, M., Babin, V., Roland, C., Darden, T. A., & Sagui, C. (2009). Conformations and free energy landscapes of polyproline peptides. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 106(49), 20746–20751. https://doi.org/10.1073/pnas.0906500106

Babin, V., Roland, C., & Sagui, C. (2008). Adaptively biased molecular dynamics for free energy calculations. Journal of Chemical Physics, 128(13). https://doi.org/10.1063/1.2844595

Lee, J. G., Asciutto, E., Babin, V., Sagui, C., Darden, T., & Roland, C. (2006). Deprotonation of solvated formic acid: Car-Parrinello and metadynamics simulations. JOURNAL OF PHYSICAL CHEMISTRY B, 110(5), 2325–2331. https://doi.org/10.1021/jp055809i

Babin, V., Baucom, J., Darden, T. A., & Sagui, C. (2006). Molecular dynamics simulations of DNA with polarizable force fields: Convergence of an ideal B-DNA structure to the crystallographic structure. JOURNAL OF PHYSICAL CHEMISTRY B, 110(23), 11571–11581. https://doi.org/10.1021/jp061421r

Babin, V., Baucom, J., Darden, T. A., & Sagui, C. (2006). Molecular dynamics simulations of polarizable DNA in crystal environment. International Journal of Quantum Chemistry, 106(15), 3260–3269. https://doi.org/10.1002/qua.21152

Babin, V., Roland, C., Darden, T. A., & Sagui, C. (2006). The free energy landscape of small peptides as obtained from metadynamics with umbrella sampling corrections. JOURNAL OF CHEMICAL PHYSICS, 125(20). https://doi.org/10.1063/1.2393236