Results 11 to 20 of about 935,615 (294)
Computational Ways to Enhance Protein Inhibitor Design
Frontiers in Molecular Biosciences, 2021 Two new computational approaches are described to aid in the design of new peptide-based drugs by evaluating ensembles of protein structures from their dynamics and through the assessing of structures using empirical contact potential.
Robert L. Jernigan +6 more
doaj +1 more source
Multiple-Allele MHC Class II Epitope Engineering by a Molecular Dynamics-Based Evolution Protocol
Frontiers in Immunology, 2022 Epitopes that bind simultaneously to all human alleles of Major Histocompatibility Complex class II (MHC II) are considered one of the key factors for the development of improved vaccines and cancer immunotherapies.
Rodrigo Ochoa +9 more
doaj +1 more source
Designer Natriuretic Peptides [PDF]
Journal of Investigative Medicine, 2009 Designer natriuretic peptides (NPs) are novel hybrid peptides that are engineered from the native NPs through addition, deletion, or substitution of amino acid(s) with a goal toward optimization of pharmacological actions while minimizing undesirable effects.
Candace Y W, Lee +2 more
openaire +2 more sources
Natural and Man-Made Cyclic Peptide-Based Antibiotics
Antibiotics, 2022 In recent years, an increasing number of drug-resistant bacterial strains have been identified due to the abuse of antibiotics, which seriously threatens human and animal health. Antimicrobial peptides (AMPs) have become one of the most effective weapons
Shian Lai, Quan Zhang, Lin Jin
doaj +1 more source
Prospection of Peptide Inhibitors of Thrombin from Diverse Origins Using a Machine Learning Pipeline
Bioengineering, 2023 Thrombin is a key enzyme involved in the development and progression of many cardiovascular diseases. Direct thrombin inhibitors (DTIs), with their minimum off-target effects and immediacy of action, have greatly improved the treatment of these diseases.
Nivedha Balakrishnan +6 more
doaj +1 more source
Computational Design of Macrocyclic Binders of S100B(ββ): Novel Peptide Theranostics
Molecules, 2021 S100B(ββ) proteins are a family of multifunctional proteins that are present in several tissues and regulate a wide variety of cellular processes.
Srinivasaraghavan Kannan +4 more
doaj +1 more source
Designing antioxidant peptides [PDF]
Redox Report, 2014 Ionizing radiation causes the generation of damaging reactive oxygen species that lead to cellular damage and death. Organisms such as Deinococcus radiodurans have evolved mechanisms for extreme resistance to ionizing radiation, and resistance has been shown to be a consequence of protection of critical proteins from oxidative inactivation.D ...
Barbara S, Berlett, Rodney L, Levine
openaire +2 more sources
Peptide–Protein Interactions: From Drug Design to Supramolecular Biomaterials
Molecules, 2021 The self-recognition and self-assembly of biomolecules are spontaneous processes that occur in Nature and allow the formation of ordered structures, at the nanoscale or even at the macroscale, under thermodynamic and kinetic equilibrium as a consequence ...
Andrea Caporale +3 more
doaj +1 more source
Design of Disruptors of the Hsp90–Cdc37 Interface
Molecules, 2020 The molecular chaperone Hsp90 is a ubiquitous ATPase-directed protein responsible for the activation and structural stabilization of a large clientele of proteins.
Ilda D’Annessa +10 more
doaj +1 more source
In silico prediction of mutant HIV-1 proteases cleaving a target sequence [PDF]
, 2014 HIV-1 protease represents an appealing system for directed enzyme re-design, since it has various different endogenous targets, a relatively simple structure and it is well studied.
De Vico, Luca +3 more
core +13 more sources