George A Kaminski
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Explore the profile of George A Kaminski including associated specialties, affiliations and a list of published articles.
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23
Citations
277
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Recent Articles
1.
Cvitkovic J, Pauplis C, Kaminski G
J Comput Chem
. 2019 Mar;
40(18):1718-1726.
PMID: 30895643
We have developed and tested PKA17, a coarse-grain grid-based model for predicting protein pK shifts. Our pK predictor is currently deployed via a website interface. We have carried out parameter...
2.
Dolgova N, Yu C, Cvitkovic J, Hodak M, Nienaber K, Summers K, et al.
Biochemistry
. 2017 May;
56(24):3129-3141.
PMID: 28549213
Copper is an essential nutrient required for many biological processes involved in primary metabolism, but free copper is toxic due to its ability to catalyze formation of free radicals. To...
3.
Cvitkovic J, Kaminski G
J Comput Chem
. 2016 Nov;
38(3):161-168.
PMID: 27859392
We have developed empirical force field parameters for Pt(II) and cisplatin. Two force field frameworks were used-modified OPLS-AA and our second-order polarizable POSSIM. A seven-site model was used for the...
4.
Sharma I, Kaminski G
J Comput Chem
. 2016 Oct;
38(2):65-80.
PMID: 27785788
Our Fuzzy-Border (FB) continuum solvent model has been extended and modified to produce hydration parameters for small molecules using POlarizable Simulations Second-order Interaction Model (POSSIM) framework with an average error...
5.
Maple J, Cao Y, Damm W, Halgren T, Kaminski G, Zhang L, et al.
J Chem Theory Comput
. 2015 Dec;
1(4):694-715.
PMID: 26641692
A polarizable force field, and associated continuum solvation model, have been developed for the explicit purpose of computing and studying the energetics and structural features of protein binding to the...
6.
Kaminski G, Maple J, Murphy R, Braden D, Friesner R
J Chem Theory Comput
. 2015 Dec;
1(2):248-54.
PMID: 26641295
We present a methodology for computing the binding energy of molecular dimers based on extrapolation of pseudospectral local second-order Moller-Plesset (MP2), or PS-LMP2, energies to the basis set limit. The...
7.
Kaminski G
J Chem Theory Comput
. 2015 Dec;
4(5):847-54.
PMID: 26621096
Apoptosis is self-programmed cell death. The X-linked inhibitor of apoptosis (XIAP) is known to inhibit caspase proteins, the key players in apoptosis. When this happens, the cells become cancerous as...
8.
Kaminski G
J Chem Theory Comput
. 2014 Nov;
10(11):4972-4981.
PMID: 25400519
We have simulated effects of a shock wave in water that would result from the collapse of a cavitation bubble on binding in model complexes. We have considered a benzene...
9.
Li X, Ponomarev S, Sigalovsky D, Cvitkovic J, Kaminski G
J Chem Theory Comput
. 2014 Nov;
10(11):4896-4910.
PMID: 25400518
Previously, we reported development of a fast polarizable force field and software named POSSIM (POlarizable Simulations with Second order Interaction Model). The second-order approximation permits the speed up of the...
10.
Ponomarev S, Sa Q, Kaminski G
J Chem Theory Comput
. 2013 Mar;
8(11):4691-4706.
PMID: 23483820
We have studied stability of polyalanine alpha-helices with lysine residues added at C-and N-termini in gas-phase and aqueous solution. Monte Carlo simulations with the fixed-charges OPLS-AA and our polarizable POSSIM...