| 1 |
Acetylcholine molecular arrays enable quantum information processing
Tamulis A, Majauskaite K, Talaikis M, Zborowski K, Kairys V
Chemical Physics Letters, 684, 39, 2017 |
| 2 |
Spintronic characteristics of self-assembled neurotransmitter acetylcholine molecular complexes enable quantum information processing in neural networks and brain
Tamulis A, Majauskaite K, Kairys V, Zborowski K, Adhikari K, Krisciukaitis S
Chemical Physics Letters, 660, 189, 2016 |
| 3 |
HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants
Altman MD, Ali A, Reddy GSKK, Nalam MNL, Anjum SG, Cao H, Chellappan S, Kairys V, Fernandes MX, Gilson MK, Schiffer CA, Rana TM, Tidor B
Journal of the American Chemical Society, 130(19), 6099, 2008 |
| 4 |
The effective fragment potential method: A QM-based MM approach to modeling environmental effects in chemistry
Gordon MS, Freitag MA, Bandyopadhyay P, Jensen JH, Kairys V, Stevens WJ
Journal of Physical Chemistry A, 105(2), 293, 2001 |
| 5 |
Accurate intraprotein electrostatics derived from first principles: An effective fragment potential method study of the proton affinities of lysine 55 and tyrosine 20 in turkey ovomucoid third domain
Minikis RM, Kairys V, Jensen JH
Journal of Physical Chemistry A, 105(15), 3829, 2001 |
| 6 |
QM/MM boundaries across covalent bonds: A frozen localized molecular orbital-based approach for the effective fragment potential method
Kairys V, Jensen JH
Journal of Physical Chemistry A, 104(28), 6656, 2000 |
| 7 |
Geometry optimization of charged molecules in an external electric field applied to F-center dot H2O and I-center dot H2O
Kairys V, Head JD
Journal of Physical Chemistry A, 102(8), 1365, 1998 |
| 8 |
The Mechanism of Electroreduction of Silver Cyanide Complexes in Aqueous-Electrolytes .2. Interpretation of SERS Data
Daujotis V, Kairys V
Electrochimica Acta, 42(9), 1345, 1997 |
