Emerging and re-emerging warheads for targeted covalent inhibitors: applications in medicinal chemistry and chemical biology
M Gehringer, SA Laufer - Journal of medicinal chemistry, 2018 - ACS Publications
Targeted covalent inhibitors (TCIs) are designed to bind poorly conserved amino acids by
means of reactive groups, the so-called warheads. Currently, targeting noncatalytic cysteine …
means of reactive groups, the so-called warheads. Currently, targeting noncatalytic cysteine …
Native chemical ligation and extended methods: mechanisms, catalysis, scope, and limitations
V Agouridas, O El Mahdi, V Diemer, M Cargoet… - Chemical …, 2019 - ACS Publications
The native chemical ligation reaction (NCL) involves reacting a C-terminal peptide thioester
with an N-terminal cysteinyl peptide to produce a native peptide bond between the two …
with an N-terminal cysteinyl peptide to produce a native peptide bond between the two …
Electrostatic interactions in protein structure, folding, binding, and condensation
Charged and polar groups, through forming ion pairs, hydrogen bonds, and other less
specific electrostatic interactions, impart important properties to proteins. Modulation of the …
specific electrostatic interactions, impart important properties to proteins. Modulation of the …
TMT labeling for the masses: a robust and cost-efficient, in-solution labeling approach*[S]
J Zecha, S Satpathy, T Kanashova… - Molecular & cellular …, 2019 - ASBMB
Isobaric stable isotope labeling using, for example, tandem mass tags (TMTs) is increasingly
being applied for large-scale proteomic studies. Experiments focusing on proteoform …
being applied for large-scale proteomic studies. Experiments focusing on proteoform …
IPC–isoelectric point calculator
LP Kozlowski - Biology direct, 2016 - Springer
Background Accurate estimation of the isoelectric point (pI) based on the amino acid
sequence is useful for many analytical biochemistry and proteomics techniques such as 2-D …
sequence is useful for many analytical biochemistry and proteomics techniques such as 2-D …
H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations
R Anandakrishnan, B Aguilar… - Nucleic acids …, 2012 - academic.oup.com
The accuracy of atomistic biomolecular modeling and simulation studies depend on the
accuracy of the input structures. Preparing these structures for an atomistic modeling task …
accuracy of the input structures. Preparing these structures for an atomistic modeling task …
Proteome-pI: proteome isoelectric point database
LP Kozlowski - Nucleic acids research, 2017 - academic.oup.com
Proteome-pI is an online database containing information about predicted isoelectric points
for 5029 proteomes calculated using 18 methods. The isoelectric point, the pH at which a …
for 5029 proteomes calculated using 18 methods. The isoelectric point, the pH at which a …
Peptide‐based coacervate‐core vesicles with semipermeable membranes
M Abbas, JO Law, SN Grellscheid… - Advanced …, 2022 - Wiley Online Library
Coacervates droplets have long been considered as potential protocells to mimic living
cells. However, these droplets lack a membrane and are prone to coalescence, limiting their …
cells. However, these droplets lack a membrane and are prone to coalescence, limiting their …
IPC 2.0: prediction of isoelectric point and pKa dissociation constants
LP Kozlowski - Nucleic Acids Research, 2021 - academic.oup.com
The isoelectric point is the pH at which a particular molecule is electrically neutral due to the
equilibrium of positive and negative charges. In proteins and peptides, this depends on the …
equilibrium of positive and negative charges. In proteins and peptides, this depends on the …
Arginine: Its pKa value revisited
CA Fitch, G Platzer, M Okon… - Protein …, 2015 - Wiley Online Library
Using complementary approaches of potentiometry and NMR spectroscopy, we have
determined that the equilibrium acid dissociation constant (pKa value) of the arginine …
determined that the equilibrium acid dissociation constant (pKa value) of the arginine …