|Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information|
I Sushko, S Novotarskyi, R Körner, AK Pandey, M Rupp, W Teetz, ...
Journal of computer-aided molecular design 25 (6), 533-554, 2011
|Human pregnane X receptor antagonists and agonists define molecular requirements for different binding sites|
S Ekins, C Chang, S Mani, MD Krasowski, EJ Reschly, M Iyer, ...
Molecular pharmacology 72 (3), 592-603, 2007
|Highly chlorinated PCBs inhibit the human xenobiotic response mediated by the steroid and xenobiotic receptor (SXR).|
MM Tabb, V Kholodovych, F Grün, C Zhou, WJ Welsh, B Blumberg
Environmental health perspectives 112 (2), 163-169, 2004
|Self-assembled cationic amphiphiles as antimicrobial peptides mimics: Role of hydrophobicity, linkage type, and assembly state|
Y Zhang, A Algburi, N Wang, V Kholodovych, DO Oh, M Chikindas, ...
Nanomedicine: Nanotechnology, Biology and Medicine 13 (2), 343-352, 2017
|Tumor-targeted bioconjugate based delivery of camptothecin: design, synthesis and in vitro evaluation|
PV Paranjpe, Y Chen, V Kholodovych, W Welsh, S Stein, PJ Sinko
Journal of controlled release 100 (2), 275-292, 2004
|Neural network studies. 3. Variable selection in the cascade-correlation learning architecture|
VV Kovalishyn, IV Tetko, AI Luik, VV Kholodovych, AEP Villa, ...
Journal of Chemical Information and Computer Sciences 38 (4), 651-659, 1998
|Shape signatures: new descriptors for predicting cardiotoxicity in silico|
DS Chekmarev, V Kholodovych, KV Balakin, Y Ivanenkov, S Ekins, ...
Chemical research in toxicology 21 (6), 1304-1314, 2008
|Computational discovery of novel low micromolar human pregnane X receptor antagonists|
S Ekins, V Kholodovych, N Ai, M Sinz, J Gal, L Gera, WJ Welsh, ...
Molecular pharmacology 74 (3), 662-672, 2008
|Sugar-based amphiphilic nanoparticles arrest atherosclerosis in vivo|
DR Lewis, LK Petersen, AW York, KR Zablocki, LB Joseph, ...
Proceedings of the National Academy of Sciences 112 (9), 2693-2698, 2015
|Accurate predictions of cellular response using QSPR: a feasibility test of rational design of polymeric biomaterials|
V Kholodovych, JR Smith, D Knight, S Abramson, J Kohn, WJ Welsh
Polymer 45 (22), 7367-7379, 2004
|Genome assembly and geospatial phylogenomics of the bed bug Cimex lectularius|
JA Rosenfeld, D Reeves, MR Brugler, A Narechania, S Simon, R Durrett, ...
Nature communications 7 (1), 1-10, 2016
|3D-QSAR comparative molecular field analysis on opioid receptor antagonists: pooling data from different studies|
Y Peng, SM Keenan, Q Zhang, V Kholodovych, WJ Welsh
Journal of medicinal chemistry 48 (5), 1620-1629, 2005
|Using surrogate modeling in the prediction of fibrinogen adsorption onto polymer surfaces|
JR Smith, D Knight, J Kohn, K Rasheed, N Weber, V Kholodovych, ...
Journal of chemical information and computer sciences 44 (3), 1088-1097, 2004
|Predicting fibrinogen adsorption to polymeric surfaces in silico: a combined method approach|
JR Smith, V Kholodovych, D Knight, J Kohn, WJ Welsh
Polymer 46 (12), 4296-4306, 2005
|Prediction of fibrinogen adsorption for biodegradable polymers: Integration of molecular dynamics and surrogate modeling|
AV Gubskaya, V Kholodovych, D Knight, J Kohn, WJ Welsh
Polymer 48 (19), 5788-5801, 2007
|QSAR models for the analysis of bioresponse data from combinatorial libraries of biomaterials|
JR Smith, V Kholodovych, D Knight, WJ Welsh, J Kohn
QSAR & Combinatorial Science 24 (1), 99-113, 2005
|Prediction of biological response for large combinatorial libraries of biodegradable polymers: Polymethacrylates as a test case|
V Kholodovych, AV Gubskaya, M Bohrer, N Harris, D Knight, J Kohn, ...
Polymer 49 (10), 2435-2439, 2008
|The major human pregnane X receptor (PXR) splice variant, PXR. 2, exhibits significantly diminished ligand-activated transcriptional regulation|
YS Lin, K Yasuda, M Assem, C Cline, J Barber, CW Li, V Kholodovych, ...
Drug metabolism and disposition 37 (6), 1295-1304, 2009
|Predicting inhibitors of acetylcholinesterase by regression and classification machine learning approaches with combinations of molecular descriptors|
D Chekmarev, V Kholodovych, S Kortagere, WJ Welsh, S Ekins
Pharmaceutical research 26 (9), 2216-2224, 2009
|Specific interactions between the viral coreceptor CXCR4 and the biguanide-based compound NB325 mediate inhibition of human immunodeficiency virus type 1 infection|
N Thakkar, V Pirrone, S Passic, W Zhu, V Kholodovych, W Welsh, ...
Antimicrobial agents and chemotherapy 53 (2), 631-638, 2009