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Items: 1 to 20 of 72


Forces and Disease: Electrostatic force differences caused by mutations in kinesin motor domains can distinguish between disease-causing and non-disease-causing mutations.

Li L, Jia Z, Peng Y, Godar S, Getov I, Teng S, Alper J, Alexov E.

Sci Rep. 2017 Aug 15;7(1):8237. doi: 10.1038/s41598-017-08419-7.


Cofactors-loaded quaternary structure of lysine-specific demethylase 5C (KDM5C) protein: Computational model.

Peng Y, Alexov E.

Proteins. 2016 Dec;84(12):1797-1809. doi: 10.1002/prot.25162. Epub 2016 Oct 1.


Electrostatic component of binding energy: Interpreting predictions from poisson-boltzmann equation and modeling protocols.

Chakavorty A, Li L, Alexov E.

J Comput Chem. 2016 Oct 30;37(28):2495-507. doi: 10.1002/jcc.24475. Epub 2016 Aug 21.


Cytoplasmic dynein binding, run length, and velocity are guided by long-range electrostatic interactions.

Li L, Alper J, Alexov E.

Sci Rep. 2016 Aug 17;6:31523. doi: 10.1038/srep31523.


SAAMBE: Webserver to Predict the Charge of Binding Free Energy Caused by Amino Acids Mutations.

Petukh M, Dai L, Alexov E.

Int J Mol Sci. 2016 Apr 12;17(4):547. doi: 10.3390/ijms17040547.


Revealing the Effects of Missense Mutations Causing Snyder-Robinson Syndrome on the Stability and Dimerization of Spermine Synthase.

Peng Y, Norris J, Schwartz C, Alexov E.

Int J Mol Sci. 2016 Jan 8;17(1). pii: E77. doi: 10.3390/ijms17010077.


Investigating the linkage between disease-causing amino acid variants and their effect on protein stability and binding.

Peng Y, Alexov E.

Proteins. 2016 Feb;84(2):232-9. doi: 10.1002/prot.24968. Epub 2016 Jan 11.


Mutations in the KDM5C ARID Domain and Their Plausible Association with Syndromic Claes-Jensen-Type Disease.

Peng Y, Suryadi J, Yang Y, Kucukkal TG, Cao W, Alexov E.

Int J Mol Sci. 2015 Nov 13;16(11):27270-87. doi: 10.3390/ijms161126022.


pKa predictions for proteins, RNAs, and DNAs with the Gaussian dielectric function using DelPhi pKa.

Wang L, Li L, Alexov E.

Proteins. 2015 Dec;83(12):2186-97. doi: 10.1002/prot.24935. Epub 2015 Oct 16.


Predicting Binding Free Energy Change Caused by Point Mutations with Knowledge-Modified MM/PBSA Method.

Petukh M, Li M, Alexov E.

PLoS Comput Biol. 2015 Jul 6;11(7):e1004276. doi: 10.1371/journal.pcbi.1004276. eCollection 2015 Jul.


Structural, Dynamical, and Energetical Consequences of Rett Syndrome Mutation R133C in MeCP2.

Kucukkal TG, Alexov E.

Comput Math Methods Med. 2015;2015:746157. doi: 10.1155/2015/746157. Epub 2015 Apr 5.


ZC4H2, an XLID gene, is required for the generation of a specific subset of CNS interneurons.

May M, Hwang KS, Miles J, Williams C, Niranjan T, Kahler SG, Chiurazzi P, Steindl K, Van Der Spek PJ, Swagemakers S, Mueller J, Stefl S, Alexov E, Ryu JI, Choi JH, Kim HT, Tarpey P, Neri G, Holloway L, Skinner C, Stevenson RE, Dorsky RI, Wang T, Schwartz CE, Kim CH.

Hum Mol Genet. 2015 Sep 1;24(17):4848-61. doi: 10.1093/hmg/ddv208. Epub 2015 Jun 8.


On the energy components governing molecular recognition in the framework of continuum approaches.

Li L, Wang L, Alexov E.

Front Mol Biosci. 2015 Mar 6;2:5. doi: 10.3389/fmolb.2015.00005. eCollection 2015. Review.


Ion binding to biological macromolecules.

Petukh M, Alexov E.

Asian J Phys. 2014 Nov;23(5):735-744.


On human disease-causing amino acid variants: statistical study of sequence and structural patterns.

Petukh M, Kucukkal TG, Alexov E.

Hum Mutat. 2015 May;36(5):524-534. doi: 10.1002/humu.22770. Epub 2015 Apr 6.


Structural and physico-chemical effects of disease and non-disease nsSNPs on proteins.

Kucukkal TG, Petukh M, Li L, Alexov E.

Curr Opin Struct Biol. 2015 Jun;32:18-24. doi: 10.1016/ Epub 2015 Feb 4. Review.


On the electrostatic properties of homodimeric proteins.

Campbell B, Petukh M, Alexov E, Li C.

J Theor Comput Chem. 2014;13(3). pii: 1440007.


Chronic Beryllium Disease: revealing the role of beryllium ion and small peptides binding to HLA-DP2.

Petukh M, Wu B, Stefl S, Smith N, Hyde-Volpe D, Wang L, Alexov E.

PLoS One. 2014 Nov 4;9(11):e111604. doi: 10.1371/journal.pone.0111604. eCollection 2014.

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