| 1 |
Isobaric Molecular Dynamics Version of the Generalized Replica Exchange Method (gREM): Liquid-Vapor Equilibrium
Malolepsza E, Secor M, Keyes T
Journal of Physical Chemistry B, 119(42), 13379, 2015 |
| 2 |
Pathways through Equilibrated States with Coexisting Phases for Gas Hydrate Formation
Malolepsza E, Keyes T
Journal of Physical Chemistry B, 119(52), 15857, 2015 |
| 3 |
Role of Charge and Solvation in the Structure and Dynamics of Alanine-Rich Peptide AKA(2) in AOT Reverse Micelles
Martinez AV, Malolepsza E, Dominguez L, Lu Q, Straub JE
Journal of Physical Chemistry B, 119(29), 9084, 2015 |
| 4 |
Empirical Maps For The Calculation of Amide I Vibrational Spectra of Proteins From Classical Molecular Dynamics Simulations
Malolepsza E, Straub JE
Journal of Physical Chemistry B, 118(28), 7848, 2014 |
| 5 |
Probing the Structure and Dynamics of Confined Water in AOT Reverse Micelles
Martinez AV, Dominguez L, Malolepsza E, Moser A, Ziegler Z, Straub JE
Journal of Physical Chemistry B, 117(24), 7345, 2013 |
| 6 |
Dynamics of Methionine Ligand Rebinding in Cytochrome c
Zhang P, Malolepsza E, Straub JE
Journal of Physical Chemistry B, 116(23), 6980, 2012 |
| 7 |
Comparison of geometric, electronic, and vibrational properties for isomers of small fullerenes C-20-C-36
Malolepsza E, Witek HA, Irle S
Journal of Physical Chemistry A, 111(29), 6649, 2007 |
| 8 |
Accurate vibrational frequencies using the self-consistent-charge density-functional tight-binding method
Malolepsza E, Witek HA, Morokuma K
Chemical Physics Letters, 412(4-6), 237, 2005 |
| 9 |
Pauli hardness study of the methane, ammonia, water and hydrogen fluoride molecules
Malolepsza E, Piela L
Journal of Physical Chemistry A, 107(27), 5356, 2003 |
