Search results
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Title
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A new obligate CXCL4-CXCL12 heterodimer for studying chemokine heterodimer activities and mechanisms
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Author
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Nesmelova, Irina, Ngyuen, Khanh T.P., Dreau, Didier, Volkman, Brian
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Date Created
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2022
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Subjects--Topical
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Chemokines, Proteins
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Description
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Chemokines form a family of proteins with critical roles in many biological processes in health and disease conditions, including cardiovascular, autoimmune diseases, infections, and cancer. Many chemokines engage in heterophilic interactions to f...
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Title
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A virtual pebble game to ensemble average graph rigidity
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Author
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Jacobs, Donald J., Gonzalez, Luis C., Wang, Hui, Livesay, Dennis R.
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Date Created
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2015
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Subjects--Topical
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Probabilities, Proteins
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Description
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Background: The body-bar Pebble Game (PG) algorithm is commonly used to calculate network rigidity properties in proteins and polymeric materials. To account for fluctuating interactions such as hydrogen bonds, an ensemble of constraint topologies...
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Title
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Calculating ensemble averaged descriptions of protein rigidity without sampling
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Author
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Jacobs, Donald J., Gonzalez, Luis C., Wang, Hui, Livesay, Dennis R.
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Date Created
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2012
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Subjects--Topical
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Biology, Proteins
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Description
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Previous works have demonstrated that protein rigidity is related to thermodynamic stability, especially under conditions that favor formation of native structure. Mechanical network rigidity properties of a single conformation are efficiently cal...
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Title
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Conformational entropy of an ideal cross-linking polymer chain
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Author
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Jacobs, Donald J., Vorov, Oleg, Livesay, Dennis R.
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Date Created
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2008
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Subjects--Topical
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Proteins, Entropy
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Description
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We present a novel analytical method to calculate conformational entropy of ideal cross-linking polymers from the configuration integral by employing a Mayer series expansion. Mayer-functions describing chemical bonds within the chain and for cros...
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Title
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JED: a Java essential dynamics program for comparative analysis of protein trajectories
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Author
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Jacobs, Donald J., Ramaprasad, Azhagiya Singam Ettayapuram, David, Charles C.
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Date Created
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2017
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Subjects--Topical
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Biology, Proteins
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Description
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Background: Essential Dynamics (ED) is a common application of principal component analysis (PCA) to extract biologically relevant motions from atomic trajectories of proteins. Covariance and correlation based PCA are two common approaches to dete...
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Title
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JEDi: Java essential dynamics inspector - a molecular trajectory analysis toolkit
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Author
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Jacobs, Donald J., Avery, Chris
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Date Created
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2021
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Subjects--Topical
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Biology, Proteins
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Description
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Background Principal component analysis (PCA) is commonly applied to the atomic trajectories of biopolymers to extract essential dynamics that describe biologically relevant motions. Although application of PCA is straightforward, specialized soft...