2021

• All-or-none amyloid disassembly via chaperone-triggered fibril unzipping favors clearance of α-synuclein toxic species.

  Proceedings of the National Academy of Sciences Sep 2021, 118 (36) e2105548118, (2021) doi: 10.1073/pnas.2105548118

• Editorial: New Experimental and Computational Tools for Drug Discovery: Part - XI

  Current Topics in Medicinal Chemistry, 21, 7, 597 - 598, (2021) doi: 10.2174/156802662107210312114854

• Prediction of Anti-Glioblastoma Drug-Decorated Nanoparticle Delivery Systems Using Molecular Descriptors and Machine Learning.

  Int. J. Mol. Sci. 2021, 22(21), 11519; (2021) doi: 10.3390/ijms222111519

• Mitochondrial membrane tension governs fission

  Cell Reports 35, 108947, April 13, (2021) doi: 10.1016/j.celrep.2021.108947

• Minimal metabolism: a key concept to investigate the origins and nature of biological systems.

  BioEssays, 43, e2100103, (2021) doi: 10.1002/bies.202100103

• Reliably quantifying the evolving worldwide dynamic state of the COVID-19 outbreak from death records, clinical parametrization, and demographic data.

  Sci Rep 11, 19952 (2021) doi:10.1038/s41598-021-99273-1

• Lyophilized, Thermostable Spike or RBD Immunogenic Liposomes Induce Protective Immunity Against SARS-CoV-2 in Mice.

  Sci. Adv. 7, eabj1476, (2021) doi: 10.1126/sciadv.abj1476

• Bacteriophage PRD1 as a nanoscaffold for drug loading

  Nanoscale, 2021,13, 19875-19883, (2021) doi: 10.1039/D1NR04153C

• Predicting Metabolic Reaction Networks with Perturbation-Theory Machine Learning (PTML) Models

  Current Topics in Medicinal Chemistry, 21, 9, 819-827, (2021) doi: 10.2174/1568026621666210331161144

• Aberrant Synaptic PTEN in Symptomatic Alzheimer’s Patients May Link Synaptic Depression to Network Failure

  Front. Synaptic Neurosci. 13:683290, (2021) doi: 10.3389/fnsyn.2021.683290

• A Systematic Approach to Assess the Activity and Classification of PCSK9 Variants.

  Int. J. Mol. Sci. 2021, 22(24), 13602; (2021) doi: 10.3390/ijms222413602

• Single-aminoacid discrimination in proteins with homogeneous nanopore sensors and neural networks

  Biosensors and Bioelectronics, 180, 2021,113108, (2021) doi: 10.1016/j.bios.2021.113108

• Dimeric Rhodopsin R135L mutant-transducin complex sheds light on misfunctions leading to Retinitis pigmentosa.

  J. Phys. Chem. B 2021, 125, 47, 12958–12971, (2021) doi: 10.1021/acs.jpcb.1c06348

• Inhibition of the Human Hsc70 System by Small Ligands as a Potential Anticancer Approach.

  Cancers 2021, 13(12), 2936; (2021) doi: 10.3390/cancers13122936

• Structure of HIV-1 gp41 with its membrane anchors targeted by neutralizing antibodies

  eLife 2021;10:e65005, (2021) doi: 10.7554/eLife.65005

• Mitochondrial bioenergetics boost macrophages activation promoting liver regeneration in metabolically compromised animals.

  Hepatology. 00: 1– 17 (2021) doi:10.1002/hep.32149

• Laboratory Detection of Cyanoacetic Acid: A Jet-cooled Rotational Study.

  The Astrophysical Journal, 915:76 (8pp), (2021) doi: 10.3847/1538-4357/ac013f

• Immunogenomics of Colorectal Cancer Response to Checkpoint Blockade: Analysis of the KEYNOTE 177 Trial and Validation Cohorts

  Gastroenterology 2021;161:1179–1193, (2021) doi: 10.1053/j.gastro.2021.06.064

• The role of the intramolecular interactions in the structural behavior of biomolecules: Insights from rotational spectroscopy

  Developments in Physical & Theoretical Chemistry, Pages 93-141 (2021) doi: 10.1016/B978-0-12-817586-6.00004-9. (2021)

• Ascertaining the initiation of epidemic resurgences: an application to the COVID-19 second surges in Europe and the Northeast United States.

  R. Soc. open sci., 8: 210773, (2021) doi:1 0.1098/rsos.210773

• Multiscale interactome analysis coupled with off-target drug predictions reveals drug repurposing candidates for human coronavirus disease.

  Sci Rep 11, 23315 (2021) doi: 10.1038/s41598-021-02432-7

• Synthesis, Pharmacological, and Biological Evaluation of 2-Furoyl-Based MIF-1 Peptidomimetics and the Development of a General-Purpose Model for Allosteric Modulators (ALLOPTML)

  ACS Chem. Neurosci. 2021, 12, 1, 203–215, (2021) doi: 10.1021/acschemneuro.0c00687

• Degradation of Drug Delivery Nanocarriers and Payload Release: A Review of Physical Methods for Tracing Nanocarrier Biological Fate.

  Pharmaceutics 2021, 13(6), 770; (2021) doi: 10.3390/pharmaceutics13060770

• MLb-LDLr: A Machine Learning Model for Predicting the Pathogenicity of LDL receptor Missense Variants

  Atherosclerosis 331 (2021) e3, (2021) doi: 10.1016/j.atherosclerosis.2021.06.013

• Cholesterol in the Viral Membrane is a Molecular Switch Governing HIV‐1 Env Clustering.

  Adv. Sci., 8, 2003468, (2021) doi.:10.1002/advs.202003468

• Magnesium accumulation upon cyclin M4 silencing activates microsomal triglyceride transfer protein improving NASH

  J. Hepatol. 2021, 75, 34–45, (2021) doi: 10.1016/j.jhep.2021.01.043

• The interaction of Aβ42 peptide in monomer, oligomer or fibril forms with sphingomyelin/cholesterol/ganglioside bilayers

  Int J Biol Macromol. S0141-8130(20)35037-6. doi: 10.1016/j.ijbiomac.2020.11.112. (2021)

• Guidelines for the use and interpretation of assays for monitoring autophagy (4th edition).

  Autophagy, 17:1, 1-382, (2021) doiI: 10.1080/15548627.2020.1797280

• Oligonucleotide-Directed Protein Threading Through a Rigid Nanopore.

  Nanopore Technology. Methods in Molecular Biology, vol 2186. Humana, New York, NY, (2021) doi: 10.1007/978-1-0716-0806-7_10

• BioMetAll: Identifying Metal-Binding Sites in Proteins from Backbone Preorganization.

  J. Chem. Inf. Model. 2021, 61, 1, 311–323, (2021) doi: 10.1021/acs.jcim.0c00827

• Design and Validation of a Process Based on Cationic Niosomes for Gene Delivery into Novel Urine-Derived Mesenchymal Stem Cells.

  Pharmaceutics 2021, 13(5), 696; (2021) doi: 10.3390/pharmaceutics13050696

• Lipoprotein(a) in heterozygous familial hypercholesterolemia. Influence of the causative gene and type of mutation.

  Atherosclerosis, Available online 23 August 2021 In Press, Corrected Proof (2021) doi: 10.1016/j.atherosclerosis.2021.08.009

• The Role of Non‑Covalent Interactions on Oligomer Formation: Pentamer, Hexamers and Heptamer of Difluoromethane.

  Angew. Chem. Int. Ed., 60, 16894, (2021) doi: 10.1002/anie.202103900

• Editorial: ‘Inter-identities' in Life, Mind, and Society.

  Front. Psychol. 12:704772, (2021) doi: 10.3389/fpsyg.2021.704772

• Measuring In-Vivo Protein Turnover and Exchange in Macromolecular Assemblies

  STAR Protocols 2, 100800, September 17, 2021 (2021) doi: 10.1016/j.xpro.2021.100800

• Oligonucleotide-Directed Protein Threading Through a Rigid Nanopore

  Methods Mol Biol. 2186:135-144. (2021) doi: 10.1007/978-1-0716-0806-7_10. (2021)

• An epilepsy-causing mutation leads to co-translational misfolding of the Kv7.2 channel.

  BMC Biol 19, 109 (2021) doi: 10.1186/s12915-021-01040-1

• Altered cerebellar response to somatosensory stimuli in the Cntnap2 mouse model of autism.

  eNeuro 30 September 2021, 8 (5) ENEURO.0333-21.2021, (2021) doi: 10.1523/ENEURO.0333-21.2021

• Shape of Testosterone.

  J. Phys. Chem. Lett. 2021, 12, 29, 6983–6987, (2021) doi: 10.1021/acs.jpclett.1c01743

• SR-B1, a key receptor involved in the progression of cardiovascular disease: a perspective from mice and human genetic studies.

  Biomedicines 2021, 9(6), 612; (2021) doi: 10.3390/biomedicines9060612