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Novel Strategies for Drug Discovery Based on Intrinsically Disordered Proteins (IDPs)
Intrinsically disordered proteins (IDPs) are proteins that usually do not adopt well-defined native structures when isolated in solution under physiological conditions. Numerous IDPs have closeExpand
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A Naturally Occurring Defective DNA Satellite Associated with a Monopartite Begomovirus: Evidence for Recombination between Alphasatellite and Betasatellite
Monopartite begomoviruses and their associated satellites form unique disease complexes that have emerged as a serious threat to agriculture worldwide. It is well known that frequent recombinationExpand
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A recombinant begomovirus resulting from exchange of the C4 gene.
A begomovirus isolated from Malvastrum coromandelianum and tomato originating from Yunnan province (China) was shown to be representative of a new begomovirus species, for which the name tomato leafExpand
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Computational Studies of a Mechanism for Binding and Drug Resistance in the Wild Type and Four Mutations of HIV-1 Protease with a GRL-0519 Inhibitor
Drug resistance of mutations in HIV-1 protease (PR) is the most severe challenge to the long-term efficacy of HIV-1 PR inhibitor in highly active antiretroviral therapy. To elucidate the molecularExpand
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Molecular Dynamics Simulations of Human Antimicrobial Peptide LL-37 in Model POPC and POPG Lipid Bilayers
Cathelicidins are a large family of cationic antimicrobial peptides (AMPs) found in mammals with broad spectrum antimicrobial activity. LL-37 is the sole amphipathic α-helical AMP from humanExpand
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Developments in Methods for Measuring the Intestinal Absorption of Nanoparticle-Bound Drugs
  • W. Liu, H. Pan, +4 authors W. Pan
  • Chemistry, Medicine
  • International journal of molecular sciences
  • 1 July 2016
With the rapid development of nanotechnology, novel drug delivery systems comprising orally administered nanoparticles (NPs) have been paid increasing attention in recent years. The bioavailabilityExpand
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Effects of Different Force Fields and Temperatures on the Structural Character of Abeta (12–28) Peptide in Aqueous Solution
The aim of this work is to investigate the effects of different force fields and temperatures on the structural character of Aβ (12–28) peptide in aqueous solution. Moreover, the structural characterExpand
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Studying the unfolding process of protein G and protein L under physical property space
We construct physical property space with twelve different physical properties. Expand
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Bias-Exchange Metadynamics Simulation of Membrane Permeation of 20 Amino Acids
Thermodynamics of the permeation of amino acids from water to lipid bilayers is an important first step for understanding the mechanism of cell-permeating peptides and the thermodynamics of membraneExpand
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Study of Multiple Unfolding Trajectories and Unfolded States of the Protein GB1 Under the Physical Property Space
Abstract Forty nine molecular dynamics simulations of unfolding trajectories of the segment B1 of streptococcal protein G (GB1) provide a direct demonstration of the diversity of unfolding pathwayExpand
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