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1

Computationally efficient molecular dynamics integrators with improved sampling accuracy

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.

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 652 KB

english, 2012

2

Peptide insertion, positioning, and stabilization in a membrane: Insight from an all-atom molecular dynamics simulation

Arneh Babakhani, Alemayehu A. Gorfe, Justin Gullingsrud, Judy E. Kim, J. Andrew McCammon

Journal:

Year:

2007

Language:

english

File:

PDF, 437 KB

english, 2007

3

Reconstructing Potentials of Mean Force through Time Series Analysis of Steered Molecular Dynamics Simulations

Justin R Gullingsrud, Rosemary Braun, Klaus Schulten

Journal:

Journal of Computational Physics

Year:

1999

Language:

english

File:

PDF, 158 KB

english, 1999

4

Steered molecular dynamics investigations of protein function

Barry Isralewitz, Jerome Baudry, Justin Gullingsrud, Dorina Kosztin, Klaus Schulten

Journal:

Journal of Molecular Graphics and Modelling

Year:

2001

Language:

english

File:

PDF, 1.02 MB

english, 2001

5

Dynamic Binding of PKA Regulatory Subunit RIα

Justin Gullingsrud, Choel Kim, Susan S. Taylor, J. Andrew McCammon

Journal:

Year:

2006

Language:

english

File:

PDF, 748 KB

english, 2006

6

SR Protein Kinase 1 Is Resilient to Inactivation

Jacky Chi Ki Ngo, Justin Gullingsrud, Kayla Giang, Melinda Jean Yeh, Xiang-Dong Fu, Joseph A. Adams, J. Andrew McCammon, Gourisankar Ghosh

Journal:

Year:

2007

Language:

english

File:

PDF, 1.44 MB

english, 2007

7

Gating of MscL Studied by Steered Molecular Dynamics

Gullingsrud, Justin, Schulten, Klaus

Journal:

Biophysical Journal

Year:

2003

Language:

english

File:

PDF, 946 KB

english, 2003

8

Structural Determinants of MscL Gating Studied by Molecular Dynamics Simulations

Gullingsrud, Justin, Kosztin, Dorina, Schulten, Klaus

Journal:

Biophysical Journal

Year:

2001

Language:

english

File:

PDF, 1.75 MB

english, 2001

9

Molecular Dynamics Study of MscL Interactions with a Curved Lipid Bilayer

Meyer, Grischa R., Gullingsrud, Justin, Schulten, Klaus, Martinac, Boris

Journal:

Biophysical Journal

Year:

2006

Language:

english

File:

PDF, 681 KB

english, 2006

10

Lipid Bilayer Pressure Profiles and Mechanosensitive Channel Gating

Gullingsrud, Justin, Schulten, Klaus

Journal:

Biophysical Journal

Year:

2004

Language:

english

File:

PDF, 723 KB

english, 2004

11

Automated Event Detection and Activity Monitoring in Long Molecular Dynamics Simulations

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,

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 4.30 MB

english, 2009

12

Potentials of Mean Force for Acetylcholine Unbinding from the Alpha7 Nicotinic Acetylcholine Receptor Ligand-Binding Domain

Zhang, Deqiang, Gullingsrud, Justin, McCammon, J. Andrew

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 662 KB

english, 2006

13

[IEEE 2008 SC - International Conference for High Performance Computing, Networking, Storage and Analysis - Austin, TX, USA (2008.11.15-2008.11.21)] 2008 SC - International Conference for High Performance Computing, Networking, Storage and Analysis - A scalable parallel framework for analyzing terascale molecular dynamics simulation trajectories

Tiankai Tu,, Rendleman, Charles A., Borhani, David W., Dror, Ron O., Gullingsrud, Justin, Jensen, Morten O., Klepeis, John L., Maragakis, Paul, Miller, Patrick, Stafford, Kate A., Shaw, David E.

Year:

2008

Language:

english

File:

PDF, 1.85 MB

english, 2008

14

[ACM Press the 2001 symposium - Not Known (2001..-..)] Proceedings of the 2001 symposium on Interactive 3D graphics - SI3D '01 - A system for interactive molecular dynamics simulation

Stone, John E., Gullingsrud, Justin, Schulten, Klaus

Year:

2001

Language:

english

File:

PDF, 126 KB

english, 2001

15

Abundance of megalin and Dab2 is reduced in syncytiotrophoblast during placental malaria, which may contribute to low birth weight

Lybbert, Jared, Gullingsrud, Justin, Chesnokov, Olga, Turyakira, Eleanor, Dhorda, Mehul, Guerin, Philippe J., Piola, Patrice, Muehlenbachs, Atis, Oleinikov, Andrew V.

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 969 KB

english, 2016

16

A Multiplex Homology-Directed DNA Repair Assay Reveals the Impact of More Than 1,000 BRCA1 Missense Substitution Variants on Protein Function

Starita, Lea M., Islam, Muhtadi M., Banerjee, Tapahsama, Adamovich, Aleksandra I., Gullingsrud, Justin, Fields, Stanley, Shendure, Jay, Parvin, Jeffrey D.

Journal:

The American Journal of Human Genetics

Year:

2018

Language:

english

File:

PDF, 1.38 MB

english, 2018