A novel method for in silico assessment of Methionine oxidation risk in monoclonal antibodies: Improvement over the 2-shell model.

Autor: Davide Tavella, David R Ouellette, Raffaella Garofalo, Kai Zhu, Jianwen Xu, Eliud O Oloo, Christopher Negron, Peter M Ihnat

Publikováno v: PLoS ONE, Vol 17, Iss 12, p e0279689 (2022)

Over the past decade, therapeutic monoclonal antibodies (mAbs) have established their role as valuable agents in the treatment of various diseases ranging from cancers to infectious, cardiovascular and autoimmune diseases. Reactive groups of the amin

Externí odkaz: https://doaj.org/article/4b5edd0588fc4323b368d7f83b4734d2

Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain

Autor: Katherine G. Nabel, Sarah A. Clark, Sundaresh Shankar, Junhua Pan, Lars E. Clark, Pan Yang, Adrian Coscia, Lindsay G. A. McKay, Haley H. Varnum, Vesna Brusic, Nicole V. Tolan, Guohai Zhou, Michaël Desjardins, Sarah E. Turbett, Sanjat Kanjilal, Amy C. Sherman, Anand Dighe, Regina C. LaRocque, Edward T. Ryan, Casey Tylek, Joel F. Cohen-Solal, Anhdao T. Darcy, Davide Tavella, Anca Clabbers, Yao Fan, Anthony Griffiths, Ivan R. Correia, Jane Seagal, Lindsey R. Baden, Richelle C. Charles, Jonathan Abraham

Publikováno v: Science

Many studies have examined the impact of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) variants on neutralizing antibody activity after they have become dominant strains. Here, we evaluate the consequences of further viral evolution. W

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9850b307f3dab4d7e12ef6670e46c550
https://doi.org/10.1126/science.abl6251

Networks of electrostatic and hydrophobic interactions modulate the complex folding free energy surface of a designed βα protein

Autor: Francesca Massi, Rie Tatsumi-Koga, Sujit Basak, Nobuyasu Koga, David Baker, R. Paul Nobrega, Davide Tavella, Laura M. Deveau, C. Robert Matthews

The successful de novo design of proteins can provide insights into the physical chemical basis of stability, the role of evolution in constraining amino acid sequences, and the production of customizable platforms for engineering applications. Previ

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d6b5e804f2651b51167f78e7825b2c5d
https://europepmc.org/articles/PMC6452746/

Characterization of TDP-43 RRM2 Partially Folded States and Their Significance to ALS Pathogenesis

Autor: Francesca Massi, Jill A. Zitzewitz, Davide Tavella

The human protein TDP-43 is a major component of the cellular aggregates found in amyotrophic lateral sclerosis and other neurodegenerative diseases. Insoluble cytoplasmic aggregates isolated from the brain of amyotrophic lateral sclerosis and fronto

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::42e09ba55626bdce546fb8749eb06544
https://europepmc.org/articles/PMC6224623/

The complex folding behavior of HIV-1-protease monomer revealed by optical-tweezer single-molecule experiments and molecular dynamics simulations

Autor: C. Volonté, Guido Tiana, Ricardo A. Broglia, Ciro Cecconi, Maria A. Vanoni, Immanuel Valpapuram, Alessandro Aliverti, Punam Sonar, V. Pandini, Martina Caldarini, Davide Tavella

Publikováno v: Biophysical chemistry
195 (2014): 32–42. doi:10.1016/j.bpc.2014.08.001
info:cnr-pdr/source/autori:Caldarini M. [ 1,2 ] ; Sonar P. [ 3,4 ] ; Valpapuram I. [ 3,4 ] ; Tavella D. [ 1,2 ] ; Volonte C. [ 1,2 ] ; Pandini V. [ 5 ] ; Vanoni M. A. [ 5 ] ; Aliverti A. [ 5 ] ; Broglia R. A. [ 1,2,6 ] ; Tiana G.[ 1,2 ] ; Cecconi C. [ 3,4 ]/titolo:The complex folding behavior of HIV-1-protease monomer revealed by optical-tweezer single-molecule experiments and molecular dynamics simulations/doi:10.1016%2Fj.bpc.2014.08.001/rivista:Biophysical chemistry (Print)/anno:2014/pagina_da:32/pagina_a:42/intervallo_pagine:32–42/volume:195

We have used optical tweezers and molecular dynamics simulations to investigate the unfolding and refolding process of a stable monomeric form of HIV-1-protease (PR). We have characterized the behavior under tension of the native state (. N), and tha

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f6d4abc8390f2d9fc78c67e43711fc0f
https://pubmed.ncbi.nlm.nih.gov/25194276