Browsing by Subject "peptide"

Now showing items 1-9 of 9

Article

CHARMM: The biomolecular simulation program

Brooks, B. R.; Brooks III, C. L.; Mackerell Jr., A. D.; Nilsson, L.; Petrella, R. J.; Roux, B.; Won, Y.; Archontis, Georgios Z.; Bartels, C.; Boresch, S.; Caflisch, A.; Caves, L.; Cui, Q.; Dinner, A. R.; Feig, M.; Fischer, S.; Gao, J.; Hodoscek, M.; Im, W.; Kuczera, K.; Lazaridis, T.; Ma, J.; Ovchinnikov, V.; Paci, E.; Pastor, R. W.; Post, C. B.; Pu, J. Z.; Schaefer, M.; Tidor, B.; Venable, R. M.; Woodcock, H. L.; Wu, X.; Yang, W.; York, D. M.; Karplus, M. (2009)

CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and widely used molecular simulation program. It has been developed over the last three decades with a primary focus on molecules of biological interest, ...
Article

Combination of theoretical and experimental approaches for the design and study of fibril-forming peptides

Tamamis, Phanourios; Kasotakis, E.; Archontis, Georgios Z.; Mitraki, A. (2014)

Self-assembling peptides that can form supramolecular structures such as fibrils, ribbons, and nanotubes are of particular interest to modern bionanotechnology and materials science. Their ability to form biocompatible ...
Article

Design of a modified mouse protein with ligand binding properties of its human analog by molecular dynamics simulations: The case of C3 inhibition by compstatin

Tamamis, Phanourios; Pierou, P.; Mytidou, C.; Floudas, C. A.; Morikis, D.; Archontis, Georgios Z. (2011)

The peptide compstatin and its derivatives inhibit the complement-component protein C3 in primate mammals and are potential therapeutic agents against the unregulated activation of complement in humans, but are inactive ...
Article

Fragment orbital based description of charge transfer in peptides including backbone orbitals

Heck, A.; Woiczikowski, P. B.; Kubař, T.; Welke, K.; Niehaus, T.; Giese, B.; Skourtis, Spiros S.; Elstner, M.; Steinbrecher, T. B. (2014)

Charge transfer in peptides and proteins can occur on different pathways, depending on the energetic landscape as well as the coupling between the involved orbitals. Since details of the mechanism and pathways are difficult ...
Article

Helix formation by alanine-based peptides in pure water and electrolyte solutions: Insights from molecular dynamics simulations

Ioannou, F.; Leontidis, Epameinondas; Archontis, Georgios Z. (2013)

Specific ion effects on oligopeptide conformations in solution are attracting strong research attention, because of their impact on the protein-folding problem and on several important biological-biotechnological applications. ...
Article

Helix formation by alanine-based peptides in pure water and electrolyte solutions: Insights from molecular dynamics simulationsAAA

Ioannou, F.; Leontidis, Epameinondas; Archontis, Georgios Z. (2013)

Specific ion effects on oligopeptide conformations in solution are attracting strong research attention, because of their impact on the protein-folding problem and on several important biological-biotechnological applications. ...
Article

In vivo, site-specific, covalent conjugation of quantum dots to proteins via split-intein splicing

Charalambous, Anna; Andreou, Maria I.; Antoniades, Ioanna; Christodoulou, Neophytos; Skourides, Paris A. (2012)

The ability to target proteins with nanostructures and/or nanodevices in vivo is important for understanding and controlling their biological function. Quantum dots (QDs) serve as an ideal model nanostructure due to their ...
Article

Novel compstatin family peptides inhibit complement activation by drusen-like deposits in human retinal pigmented epithelial cell cultures

Gorham, R. D.; Forest, D. L.; Tamamis, Phanourios; López de Victoria, A.; Kraszni, M.; Kieslich, C. A.; Banna, C. D.; Bellows-Peterson, M. L.; Larive, C. K.; Floudas, C. A.; Archontis, Georgios Z.; Johnson, L. V.; Morikis, D. (2013)

We have used a novel human retinal pigmented epithelial (RPE) cell-based model that mimics drusen biogenesis and the pathobiology of age-related macular degeneration to evaluate the efficacy of newly designed peptide ...
Article

Polypeptide Amino Acid Composition and Isoelectric Point. 1. A Closed-Form Approximation

Patrickios, Costas S. (1995)

Two analytical expressions correlating explicitly polyampholyte isoelectric point to acid-base composition are derived and presented. The utility and limitations of these equations for the determination of the isoelectric ...

Browsing by Subject "peptide"

CHARMM: The biomolecular simulation program ﻿

Combination of theoretical and experimental approaches for the design and study of fibril-forming peptides ﻿

Design of a modified mouse protein with ligand binding properties of its human analog by molecular dynamics simulations: The case of C3 inhibition by compstatin ﻿

Fragment orbital based description of charge transfer in peptides including backbone orbitals ﻿

Helix formation by alanine-based peptides in pure water and electrolyte solutions: Insights from molecular dynamics simulations ﻿

Helix formation by alanine-based peptides in pure water and electrolyte solutions: Insights from molecular dynamics simulationsAAA ﻿

In vivo, site-specific, covalent conjugation of quantum dots to proteins via split-intein splicing ﻿

Novel compstatin family peptides inhibit complement activation by drusen-like deposits in human retinal pigmented epithelial cell cultures ﻿

Polypeptide Amino Acid Composition and Isoelectric Point. 1. A Closed-Form Approximation ﻿

CHARMM: The biomolecular simulation program

Combination of theoretical and experimental approaches for the design and study of fibril-forming peptides

Design of a modified mouse protein with ligand binding properties of its human analog by molecular dynamics simulations: The case of C3 inhibition by compstatin

Fragment orbital based description of charge transfer in peptides including backbone orbitals

Helix formation by alanine-based peptides in pure water and electrolyte solutions: Insights from molecular dynamics simulations

Helix formation by alanine-based peptides in pure water and electrolyte solutions: Insights from molecular dynamics simulationsAAA

In vivo, site-specific, covalent conjugation of quantum dots to proteins via split-intein splicing

Novel compstatin family peptides inhibit complement activation by drusen-like deposits in human retinal pigmented epithelial cell cultures

Polypeptide Amino Acid Composition and Isoelectric Point. 1. A Closed-Form Approximation