Publications
2020
High PD-1/PD-L1 Checkpoint Interaction Infers Tumor Selection and Therapeutic Sensitivity to Anti-PD-1/PD-L1 Treatment.
Cancer Res. 80(19):4244-4257. (2020) doi: 10.1158/0008-5472.CAN-20-1117. (2020)
Irreversible versus repairable membrane poration: differences in permeabilization elicited by Bordetella Adenylate Cyclase Toxin and its hemolysin domain in macrophages
FEBS J. Article in press. doi: 10.1111/febs.15106. (2020)
BIRC6 Is Associated with Vulnerability of Carotid Atherosclerotic Plaque
Int J Mol Sci. 21(24):E9387. (2020) doi: 10.3390/ijms21249387. (2020)
Presenilin1 familial Alzheimer disease mutants inactivate EFNB1- and BDNF-dependent neuroprotection against excitotoxicity by affecting neuroprotective complexes of N-methyl-d-aspartate receptor
Brain Commun. 2(2):fcaa100. (2020) doi: 10.1093/braincomms/fcaa100. (2020)
MCDCalc: Markov Chain Molecular Descriptors Calculator for Medicinal Chemistry
Curr Top Med Chem. 20(4):305-317. (2020) doi: 10.2174/1568026620666191226092431. (2020)
Exploring polar headgroup interactions between sphingomyelin and ceramide with infrared spectroscopy
Sci Rep. 10(1):17606. (2020) doi: 10.1038/s41598-020-74781-8. (2020)
Predicting coated-nanoparticle drug release systems with perturbation-theory machine learning (PTML) models
Nanoscale. (25):13471-13483 (2020). doi: 10.1039/d0nr01849j. (2020)
Correction: Functional diversification of the chemical landscapes of yeast Sec14-like phosphatidylinositol transfer protein lipid-binding cavities
J Biol Chem. 295(5):1368. (2020) doi: 10.1074/jbc.AAC120.012555 (2020)
Nucleophosmin, a multifunctional nucleolar organizer with a role in DNA repair
Biochim Biophys Acta Proteins Proteom. 1868(12):140532. (2020) doi: 10.1016/j.bbapap.2020.140532. (2020)
Tandem NMR and mass spectrometry analysis of human nuclear membrane lipids
Anal Chem. 92(10):6858-6868. (2020) doi: 10.1021/acs.analchem.9b05052 (2020)
Calcium cytotoxicity sensitizes prostate cancer cells to standard-of-care treatments for locally advanced tumors
Cell Death Dis. 11(12):1039. (2020) doi: 10.1038/s41419-020-03256-5. (2020)
Dissecting the Structural and Chemical Determinants of the \\
Biochemistry. 59(32):2934-2945. (2020) doi: 10.1021/acs.biochem.0c00376 (2020)
Conformational impact of aliphatic side chains in local anaesthetics: benzocaine, butamben and isobutamben
Chem Commun (Camb). 56(45):6094-6097. (2020) doi: 10.1039/d0cc00760a. (2020)
Perturbation-Theory Machine Learning (PTML) Multilabel Model of the ChEMBL Dataset of Preclinical Assays for Antisarcoma Compounds
ACS Omega. 5(42):27211-27220. (2020) doi: 10.1021/acsomega.0c03356. (2020)
Chlorination and tautomerism: a computational and UPS/XPS study of 2-hydroxypyridine ? 2-pyridone equilibrium
Phys Chem Chem Phys. 22(24):13440-13455 (2020). doi: 10.1039/d0cp02304c. (2020)
Recent Developments in the Design of Non-Biofouling Coatings for Nanoparticles and Surfaces
Int. J. Mol. Sci. 21(3), 1007 (2020). https://doi.org/10.3390/ijms21031007. (2020)
2019
Designing nanoparticle release systems for drug-vitamin cancer co-therapy with multiplicative perturbation-theory machine learning (PTML) models
Nanoscale. 11(45):21811-21823. (2019) doi: 10.1039/c9nr05070a. (2019)
Membrane Permeabilization by Bordetella Adenylate Cyclase Toxin Involves Pores of Tunable Size
Biomolecules. 9(5). pii: E183. doi: 10.3390/biom9050183 (2019)
Mixing brain cerebrosides with brain ceramides, cholesterol and phospholipids
Sci Rep. 9(1):13326. (2019) doi: 10.1038/s41598-019-50020-7. (2019)
The Crossroad of Ion Channels and Calmodulin in Disease
Int J Mol Sci. 20(2). pii: E400. doi: 10.3390/ijms20020400. (2019)
The Isolation of New Pore-Forming Toxins from the Sea Anemone Actinia fragacea Provides Insights into the Mechanisms of Actinoporin Evolution
Toxins (Basel).11(7). pii: E401. (2019) doi: 10.3390/toxins11070401. (2019)
The interaction of lipid-liganded gold clusters (Aurora ™) with lipid bilayers
Chem Phys Lipids. 218:40-46. doi: 10.1016/j.chemphyslip.2018.11.007 (2019)
Big Data Challenges Targeting Proteins in GPCR Signaling Pathways; Combining PTML-ChEMBL Models and [35S]GTP?S Binding Assays
ACS Chem Neurosci. 10(11):4476-4491. (2019) doi: 10.1021/acschemneuro.9b0030 (2019)
Combining patch-clamping and fluorescence microscopy for quantitative reconstitution of cellular membrane processes with Giant Suspended Bilayers
Sci Rep. 9(1):7255. doi: 10.1038/s41598-019-43561-4. (2019)
Solid Lipid Nanoparticles Loaded with Glucocorticoids Protect Auditory Cells from Cisplatin-Induced Ototoxicity
J Clin Med. 8(9). (2019)
The Application of Nanoscale Zero-Valent Iron Promotes Soil Remediation While Negatively Affecting Soil Microbial Biomass and Activity
Frontiers in environmental science. 7(19): DOI: 10.3389/fenvs.2019.00019 (2019)
Structural insights into the ability of nucleoplasmin to assemble and chaperone histone octamers for DNA deposition
Sci Rep. 9(1):9487. doi: 10.1038/s41598-019-45726-7. (2019)
lnteractions between azines and alcohols:a rotationalstudy of pyridine-tert-butylalcohol
Phys Chem Chem Phys. doi: 10.1039/c8cp04462g (2019)
Functional Analysis of LDLR (Low-Density Lipoprotein Receptor) Variants in Patient Lymphocytes to Assess the Effect of Evinacumab in Homozygous Familial Hypercholesterolemia Patients With a Spectrum of LDLR Activity
Arterioscler Thromb Vasc Biol. doi: 10.1161/ATVBAHA.119.313051. (2019)
ICTV Virus Taxonomy Profile: Solinviviridae
J Gen Virol. doi: 10.1099/jgv.0.001242. (2019)
Oscillations in feedback-driven systems: Thermodynamics and noise
PHYSICAL REVIEW E 100 (6), 062123 (2019) doi: 10.1103/PhysRevE.100.062123. (2019)
Structure and function of the Ts2631 endolysin of Thermus scotoductus phage vB_Tsc2631 with unique N-terminal extension used for peptidoglycan binding
Sci Rep. 9(1):1261. doi: 10.1038/s41598-018-37417-6 (2019)
QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models
J CHEM INF MODEL. 2019 Jun 24;59(6):2538-2544. doi: 10.1021/acs.jcim.9b00295
Integration Through Separation - The Role of Lateral Membrane Segregation in Nutrient Uptake
Front Cell Dev Biol. 7:97. (2019) doi: 10.3389/fcell.2019.00097. eCollection 2019. (2019)
Surface-active fluorinated quantum dots for enhanced cellular uptake
Chemistry. doi: 10.1002/chem.201804704. (2019)
Lipid species affect morphology of endoplasmic reticulum: a sea urchin oocyte model of reversible manipulation
J Lipid Res. pii: jlr.RA119000210. (2019) doi: 10.1194/jlr.RA119000210. (2019)
PCSK9 inhibition for autosomal recessive hypercholesterolemia
Atherosclerosis. 284:209-211. doi: 10.1016/j.atherosclerosis.2019.02.013 (2019)
The Complex Phosphorylation Patterns that Regulate the Activity of Hsp70 and Its Cochaperones
Int J Mol Sci 20(17). (2019) pii: E4122. doi: 10.3390/ijms20174122. (2019)
Lipid-lowering response in subjects with the p.(Leu167del) mutation in the APOE gene
Atherosclerosis 282:143-147. doi: 10.1016/j.atherosclerosis.2019.01.024 (2019)
PTML Model of Enzyme Subclasses for Mining the Proteome of Biofuel Producing Microorganisms
J PROTEOME RES. 2019 Jul 5;18(7):2735-2746. doi:10.1021/acs.jproteome.8b00949