Search Results - "Gullingsrud, Justin"

A Multiplex Homology-Directed DNA Repair Assay Reveals the Impact of More Than 1,000 BRCA1 Missense Substitution Variants on Protein Function by Starita, Lea M., Islam, Muhtadi M., Banerjee, Tapahsama, Adamovich, Aleksandra I., Gullingsrud, Justin, Fields, Stanley, Shendure, Jay, Parvin, Jeffrey D.

“…Loss-of-function pathogenic variants in BRCA1 confer a predisposition to breast and ovarian cancer. Genetic testing for sequence changes in BRCA1 frequently…”
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Massively Parallel Functional Analysis of BRCA1 RING Domain Variants by Starita, Lea M, Young, David L, Islam, Muhtadi, Kitzman, Jacob O, Gullingsrud, Justin, Hause, Ronald J, Fowler, Douglas M, Parvin, Jeffrey D, Shendure, Jay, Fields, Stanley

“…Interpreting variants of uncertain significance (VUS) is a central challenge in medical genetics. One approach is to experimentally measure the functional…”
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Lipid Bilayer Pressure Profiles and Mechanosensitive Channel Gating by Gullingsrud, Justin, Schulten, Klaus

“…The function of membrane proteins often depends on the proteins’ interaction with their lipid environment, spectacularly so in the case of mechanosensitive…”
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Potentials of Mean Force for Acetylcholine Unbinding from the Alpha7 Nicotinic Acetylcholine Receptor Ligand-Binding Domain by Zhang, Deqiang, Gullingsrud, Justin, McCammon, J. Andrew

“…The nicotinic acetylcholine receptor is a prototype ligand-gated ion channel that mediates signal transduction in the neuromuscular junctions and other…”
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Structure-function-immunogenicity studies of PfEMP1 domain DBL2βPF11_0521, a malaria parasite ligand for ICAM-1 by Gullingsrud, Justin, Saveria, Tracy, Amos, Emily, Duffy, Patrick E, Oleinikov, Andrew V

“…Plasmodium falciparum virulence has been ascribed to its ability to sequester in deep vascular beds, mediated by the variant surface antigen family PfEMP1…”
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Structural Determinants of MscL Gating Studied by Molecular Dynamics Simulations by Gullingsrud, Justin, Kosztin, Dorina, Schulten, Klaus

“…The mechanosensitive channel of large conductance (MscL) in prokaryotes plays a crucial role in exocytosis as well as in the response to osmotic downshock. The…”
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Steered molecular dynamics investigations of protein function by Isralewitz, Barry, Baudry, Jerome, Gullingsrud, Justin, Kosztin, Dorina, Schulten, Klaus

“…Molecular recognition and mechanical properties of proteins govern molecular processes in the cell that can cause disease and can be targeted for drug design…”
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Reconstructing Potentials of Mean Force through Time Series Analysis of Steered Molecular Dynamics Simulations by Gullingsrud, Justin R, Braun, Rosemary, Schulten, Klaus

“…Atomic force microscopy (AFM) experiments and steered molecular dynamics (SMD) simulations have revealed much about the dynamics of protein-ligand binding and…”
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Gating of MscL Studied by Steered Molecular Dynamics by Gullingsrud, Justin, Schulten, Klaus

“…Steered molecular dynamics simulations of the mechanosensitive channel of large conductance, MscL, were used to investigate how forces arising from membrane…”
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Abundance of megalin and Dab2 is reduced in syncytiotrophoblast during placental malaria, which may contribute to low birth weight by Lybbert, Jared, Gullingsrud, Justin, Chesnokov, Olga, Turyakira, Eleanor, Dhorda, Mehul, Guerin, Philippe J., Piola, Patrice, Muehlenbachs, Atis, Oleinikov, Andrew V.

“…Placental malaria caused by Plasmodium falciparum contributes to ~200,000 child deaths annually, mainly due to low birth weight (LBW). Parasitized erythrocyte…”
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High-Throughput Screening Platform Identifies Small Molecules That Prevent Sequestration of Plasmodium falciparum-Infected Erythrocytes by Gullingsrud, Justin, Milman, Neta, Saveria, Tracy, Chesnokov, Olga, Williamson, Kathryn, Srivastava, Anand, Gamain, Benoit, Duffy, Patrick E., Oleinikov, Andrew V.

“…Background. We developed a 2-step approach to screen molecules that prevent and/or reverse Plasmodium falciparum-infected erythrocyte (IE) binding to host…”
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Molecular Dynamics Study of MscL Interactions with a Curved Lipid Bilayer by Meyer, Grischa R., Gullingsrud, Justin, Schulten, Klaus, Martinac, Boris

“…Mechanosensitivity is a ubiquitous sensory mechanism found in living organisms. The simplest known mechanotransducing mechanism is found in bacteria in the…”
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Structure-Function-Immunogenicity Studies of PfEMP1 Domain DBL2[beta].sub.PF11_0521, a Malaria Parasite Ligand for ICAM-1 by Gullingsrud, Justin, Saveria, Tracy, Amos, Emily, Duffy, Patrick E, Oleinikov, Andrew V

“…Plasmodium falciparum virulence has been ascribed to its ability to sequester in deep vascular beds, mediated by the variant surface antigen family PfEMP1…”
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Automated Event Detection and Activity Monitoring in Long Molecular Dynamics Simulations by Wriggers, Willy, Stafford, Kate A, Shan, Yibing, Piana, Stefano, Maragakis, Paul, Lindorff-Larsen, Kresten, Miller, Patrick J, Gullingsrud, Justin, Rendleman, Charles A, Eastwood, Michael P, Dror, Ron O, Shaw, David E

“…Events of scientific interest in molecular dynamics (MD) simulations, including conformational changes, folding transitions, and translocations of ligands and…”
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Anton 3: Twenty Microseconds of Molecular Dynamics Simulation Before Lunch by Shawa, David E., Adams, Peter J., Azaria, Asaph, Bank, Joseph A., Batson, Brannon, Bell, Alistair, Bergdorf, Michael, Bhatt, Jhanvi, Butts, J. Adam, Correia, Timothy, Dirks, Robert M., Dror, Ron O., Eastwood, Michael P., Edwards, Bruce, Even, Amos, Feldmann, Peter, Fenn, Michael, Fenton, Christopher H., Forte, Anthony, Gagliardo, Joseph, Gill, Gennette, Gorlatova, Maria, Greskamp, Brian, Grossman, J.P., Gullingsrud, Justin, Harper, Anissa, Hasenplaugh, William, Heily, Mark, Heshmat, Benjamin Colin, Hunt, Jeremy, Ierardi, Douglas J., Iserovich, Lev, Jackson, Bryan L., Johnson, Nick P., Kirk, Mollie M., Klepeis, John L., Kuskin, Jeffrey S., Mackenzie, Kenneth M., Mader, Roy J., McGowen, Richard, McLaughlin, Adam, Moraes, Mark A., Nasrb, Mohamed H., Nociolo, Lawrence J., O'Donnell, Lief, Parker, Andrew, Peticolas, Jon L., Pocina, Goran, Predescu, Cristian, Quan, Terry, Salmon, John K., Schwink, Carl, Shim, Keun Sup, Siddiqueb, Naseer, Spenglerb, Jochen, Szalay, Tamas, Tabladillo, Raymond, Tartler, Reinhard, Taube, Andrew G., Theobald, Michael, Towlesb, Brian, Vick, William, Wang, Stanley C., Wazlowski, Michael, Weingarten, Madeleine J., Williams, John M., Yuh, Kevin A.

“…Anton 3 is the newest member in a family of supercomputers specially designed for atomic-level simulation of molecules relevant to biology (e.g., DNA,…”
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Computationally efficient molecular dynamics integrators with improved sampling accuracy by Predescu, Cristian, Lippert, Ross A., Eastwood, Michael P., Ierardi, Douglas, Xu, Huafeng, Jensen, Morten Ø., Bowers, Kevin J., Gullingsrud, Justin, Rendleman, Charles A., Dror, Ron O., Shaw, David E.

“…The design of numerical integrators for particle simulations with arbitrary potentials entails fundamental trade-offs between the accuracy achieved and the…”
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SR Protein Kinase 1 Is Resilient to Inactivation by Ngo, Jacky Chi Ki, Gullingsrud, Justin, Giang, Kayla, Yeh, Melinda Jean, Fu, Xiang-Dong, Adams, Joseph A., McCammon, J. Andrew, Ghosh, Gourisankar

“…SR protein kinase 1 (SRPK1) is a constitutively active kinase, which processively phosphorylates multiple serines within its substrates, ASF/SF2. We…”
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Peptide insertion, positioning, and stabilization in a membrane: Insight from an all-atom molecular dynamics simulation by Babakhani, Arneh, Gorfe, Alemayehu A., Gullingsrud, Justin, Kim, Judy E., Andrew McCammon, J.

“…Peptide insertion, positioning, and stabilization in a model membrane are probed via an all‐atom molecular dynamics (MD) simulation. One peptide (WL5) is…”
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Dynamic Binding of PKA Regulatory Subunit RIα by Gullingsrud, Justin, Kim, Choel, Taylor, Susan S., McCammon, J. Andrew

“…Recent crystal structures have revealed that regulatory subunit RIα of PKA undergoes a dramatic conformational change upon complex formation with the catalytic…”
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Structure-Function-Immunogenicity Studies of PfEMP1 Domain DBL2 beta PF11_0521, a Malaria Parasite Ligand for ICAM-1. e61323 by Gullingsrud, Justin, Saveria, Tracy, Amos, Emily, Duffy, Patrick E, Oleinikov, Andrew V

“…Plasmodium falciparum virulence has been ascribed to its ability to sequester in deep vascular beds, mediated by the variant surface antigen family PfEMP1…”
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