| 1 |
Molecular Dynamics Simulations Based on Polarizable Models Show that Ion Permeation Interconverts between Different Mechanisms as a Function of Membrane Thickness
Chen PR, Vorobyov I, Roux B, Allen TW
Journal of Physical Chemistry B, 125(4), 1020, 2021 |
| 2 |
Atomistic Simulations of Membrane Ion Channel Conduction, Gating, and Modulation
Flood E, Boiteux C, Lev B, Vorobyov I, Allen TW
Chemical Reviews, 119(13), 7737, 2019 |
| 3 |
The Different Interactions of Lysine and Arginine Side Chains with Lipid Membranes
Li LB, Vorobyov I, Allen TW
Journal of Physical Chemistry B, 117(40), 11906, 2013 |
| 4 |
Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types
Klauda JB, Venable RM, Freites JA, O'Connor JW, Tobias DJ, Mondragon-Ramirez C, Vorobyov I, MacKerell AD, Pastor RW
Journal of Physical Chemistry B, 114(23), 7830, 2010 |
| 5 |
Potential of mean force and pK(a) profile calculation for a lipid membrane-exposed arginine side chain
Li LB, Vorobyov I, Allen TW
Journal of Physical Chemistry B, 112(32), 9574, 2008 |
| 6 |
Assessing atomistic and coarse-grained force fields for protein-lipid interactions: The formidable challenge of an ionizable side chain in a membrane
Vorobyov I, Li LB, Allen TW
Journal of Physical Chemistry B, 112(32), 9588, 2008 |
| 7 |
Hydrogen bonding in monomers and dimers of 2-aminoethanol
Vorobyov I, Yappert MC, DuPre DB
Journal of Physical Chemistry A, 106(4), 668, 2002 |
| 8 |
Energetic and topological analyses of cooperative sigma H- and pi H-bonding interactions
Vorobyov I, Yappert MC, DuPre DB
Journal of Physical Chemistry A, 106(44), 10691, 2002 |
