Vlad Kholodovych

Recent Publications


CHAPTER 37. Densities of amorphous and crystalline polymers
V. Kholodovych and W.J. Welsh
"Physical Properties of Polymers Handbook ", 2nd Edition, ed. by J. E. Mark,
Springer Science & Business Media, LLC: New York, 2007.
CHAPTER 54. Thermal-oxidative stability and degradation of polymers
V. Kholodovych and W.J. Welsh
"Physical Properties of Polymers Handbook ", 2nd Edition, ed. by J. E. Mark,
Springer Science & Business Media, LLC: New York, 2007.


R. Fekete, M. Bainbridge, J.F. Baizabal-Carvallo, A. Rivera, B. Miller, P.C. Du, V. Kholodovych, S. Powell, W. Ondo Exome sequencing in familial corticobasal degeneration // Parkinsonism and Related Disorders 2013, 19(11), 1049-1052.
D.R. Lewis, V. Kholodovych, M.D. Tomasini, D. Abdelhamid, L.K. Petersen, W.J. Welsh, K.E. Uhrich, P.V. Moghe In silico design of anti-atherogenic biomaterials // Biomaterials 2013, 34(32), 7950-7959. PDF
I. Sushko, S. Novotarskyi, R. Korner, A.K. Pandey, M. Rupp, W. Teetz, S. Brandmaier, A. Abdelaziz, V.V. Prokopenko, V.V. Tanchuk, R. Todeschini, A. Varnek, G. Marcou, P. Ertl, V. Potemkin, M. Grishina, J. Gasteiger, C. Schwab, I.I. Baskin, V.A. Palyulin, E.V. Radchenko, W.J. Welsh, V. Kholodovych, D. Chekmarev, A. Cherkasov, J. Aires-de-Sousa, Q.-Y. Zhang, A. Bender, F. Nigsch, L. Patiny, A. Williams, V. Tkachenko, I.V. Tetko Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information // Journal of Computer-Aided Molecular Design 2011, 25(6), 533-554. PDF
A.V. Gubskaya, T.O. Bonates, V. Kholodovych, P. Hammer, W.J. Welsh,
R. Langer, J. Kohn
Logical analysis of data in structure-activity investigation of polymeric gene delivery // Macromolecular Theory and Simulations 2011, 20(4), 275-285.
N. Thakkar, V. Pirrone, S. Passic, S. Keogan, W. Zhu, V. Kholodovych et al. Persistent interactions between biguanide-based compound NB325 and CXCR4
result in prolonged inhibition of human immunodeficiency virus type 1 infection // Antimicrobial Agents and Chemotherapy 2010, 54(5), 1965-1972.
D. Chekmarev, V. Kholodovych, S. Kortagere, W.J. Welsh, S. Ekins Predicting inhibitors of acetylcholinesterase by regression and classification machine-learning approaches with combinations of molecular descriptors // Pharmaceutical Research 2009, 26(9), 2216-2224.
Y.S. Lin, K. Yasuda, M. Assem, C. Cline, J. Barber, C.W. Li, V. Kholodovych
et al.
The major human pregnane X receptor (PXR) splice variant, PXR.2, exhibits significantly diminished ligand-activated transcriptional regulation // Drug Metabolism and Disposition 2009, 37(6), 1295-1304.
N. Thakkar, V. Pirrone, S. Passic, W. Zhu, V. Kholodovych, W.J. Welsh et al. Specific interactions between the viral coreceptor CXCR4 and the biguanide-based compound NB325 mediate inhibition of human immunodeficiency virus type 1 infection // Antimicrobial Agents and Chemotherapy 2009, 53(2), 631-638.
V. Kholodovych, A.V. Gubskaya, M. Bohrer, N. Harris, D. Knight, J. Kohn,
W.J. Welsh
Prediction of biological response for large combinatorial libraries of biodegradable polymers: Polymethacrylates as a test case // Polymer 2008, 49(10), 2435-2439.
S. Ekins, V. Kholodovych, N. Ai, M. Sinz, J. Gal, L. Gera, W.J. Welsh,
K. Bachmann, S. Mani 
Computational discovery of novel low micromolar human pregnane X receptor antagonists // Molecular Pharmacology 2008, DOI: 10.1124/mol.108.049437.
D.S. Chekmarev, V. Kholodovych, K.V. Balakin, Y. Ivanenkov, S. Ekins,
W.J. Welsh
Shape signatures: New descriptors for predicting cardiotoxicity in silico // Chemical Research in Toxicology 2008, 21(6), 304-1314. PDF
V.V. Kovalishyn, V. Kholodovych, I.V. Tetko, W.J. Welsh Volume learning algorithm significantly improved PLS model for predicting the estrogenic activity of xenoestrogens // Journal of Molecular Graphics and Modelling 2007, 26, 591–594.
A.V. Gubskaya, V. Kholodovych, D. Knight, J. Kohn, W.J. Welsh Prediction of fibrinogen adsorption for biodegradable polymers: Integration of molecular dynamics and surrogate modeling // Polymer 2007, 48, 5788-5801.
S. Ekins, C. Chang, S. Mani, M.D. Krasowski, E.J. Reschly, M. Iyer,
V. Kholodovych
, N. Ai, W.J. Welsh, M. Sinz, P.W. Swaan, R. Patel, K. Bachmann
Human pregnane X receptor antagonists and agonists define molecular requirements for different binding sites // Molecular Pharmacology 2007, 72, 592–603.
J.R. Smith, V. Kholodovych, D. Knight, W.J. Welsh, J. Kohn QSAR models for the analysis of bioresponse data from combinatorial libraries of biomaterials // QSAR & Combinatorial Science 2005, 24(1), 99-113.
J.R. Smith, V. Kholodovych, D. Knight, J. Kohn, W.J. Welsh Predicting fibrinogen adsorption to polymeric surfaces in silico: a combined method approach // Polymer 2005, 46(12), 4296-4306.
Y. Peng, S.M. Keenan, Q. Zhang, V. Kholodovych, W.J. Welsh 3D-QSAR comparative molecular field analysis on opioid receptor antagonists: Pooling data from different studies // Journal of Medicinal Chemistry 2005, 48(5), 1620-1629.
V. Kholodovych, J.R. Smith, D. Knight, S. Abramson, J. Kohn, W.J. Welsh Accurate predictions of cellular response using QSPR: A feasibility test of rational design of polymeric biomaterials // Polymer (Feature article) 2004, 45(22), 7367-7379.
P.V. Paranjpe, Y. Chen, V. Kholodovych, W. Welsh, S. Stein, P.J. Sinko Tumor-targeted bioconjugate based delivery of camptothecin: design, synthesis and in vitro evaluation // Journal of Controlled Release 2004, 100(2), 275-292.
M.M. Tabb, V. Kholodovych, F. Grün, C. Zhou, W.J. Welsh, B. Blumberg Polychlorinated biphenyls inhibit the human xenobiotic response mediated by the steroid and xenobiotic receptor (SXR) // Environmental Health Perspectives 2004, 112(2), 163-169.
J.R. Smith, D. Knight, J. Kohn, K. Rasheed, N. Weber, V. Kholodovych,
W.J. Welsh
Using surrogate modeling in the prediction of fibrinogen adsorption onto polymer surfaces // Journal of Chemical Information and Computer Sciences 2004, 44, 1088-1097.
W.J. Welsh, R. Zauhar, V. Kholodovych, K. Nagarajan, N. Ai Predicting human and environmental toxicity of chemicals based on their shape and electrostatic features // Chemical Research in Toxicology 2003, 16(12), 1666.
V. Kholodovych, V. Kovalishyn, I.V. Tetko, W.J. Welsh A new approach for 3D-QSAR studies based on the volume learning artificial neural network, Book of Proceedings of the Artificial Neural Networks in Engineering Conference (ANNIE 2002), C.H. Dagli, A.L. Buczak, J. Ghosh, M.J. Embrechts, O. Ersoy, S.W. Kercel (Eds), ASME PRESS, New York, NY 2002, vol. 12, 2002, 459-464.
V.K. Kibirev, V. Kholodovych, A.A. Gershkovich Peptidomimetics as low molecular weight inhibitors of thrombin // Current R&D Highlights 2001, 23(3), 4-16.
V. Kholodovych, S.E. Mogilevich, A.I. Luik Computer-aided prediction of antitumor activity of cisplatin derivatives using methods of artificial intelligence// Experimental Oncology 2000, 22 suppl. 2, 11-15.