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1

Premicelles and monomer exchange in aqueous surfactant solutions above and below the critical micelle concentration

David N. LeBard, Benjamin G. Levine, Russell DeVane, Wataru Shinoda, Michael L. Klein

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 698 KB

english, 2012

2

Surfactant Concentration Effects on Micellar Properties

Jusufi, Arben, LeBard, David N., Levine, Benjamin G., Klein, Michael L.

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 1.44 MB

english, 2012

3

Micellization Studied by GPU-Accelerated Coarse-Grained Molecular Dynamics

Levine, Benjamin G., LeBard, David N., DeVane, Russell, Shinoda, Wataru, Kohlmeyer, Axel, Klein, Michael L.

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 1.10 MB

english, 2011

4

Self-assembly of coarse-grained ionic surfactants accelerated by graphics processing units

Levine, Benjamin G., Mertmann, Philipp, Barr, Stephen A., Jusufi, Arben, Sanders, Samantha, Klein, Michael L., Panagiotopoulos, Athanassios Z., LeBard, David N.

Journal:

Year:

2012

Language:

english

File:

PDF, 2.35 MB

english, 2012

5

The mitochondrial ABC transporter Atm1p functions as a homodimer

Maja Chloupková, Scott K Reaves, Linda M LeBard, David M Koeller

Journal:

Year:

2004

Language:

english

File:

PDF, 192 KB

english, 2004

6

MDL1 is a High Copy Suppressor of ATM1: Evidence for a Role in Resistance to Oxidative Stress

Maja Chloupková, Linda S LeBard, David M Koeller

Journal:

Journal of Molecular Biology

Year:

2003

Language:

english

File:

PDF, 812 KB

english, 2003

7

Effects of Isoflurane Binding in the Pore of a Ligand-Gated Ion Channel

LeBard, David N., Brannigan, Grace, Hénin, Jerome, Eckenhoff, Roderic, Klein, Michael L.

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 37 KB

english, 2010

8

Multiple Modes of Interaction between the Nicotinic Acetylcholine Receptor and Isoflurane Observed Through Long Time Simulations

Brannigan, Grace, Lebard, David, Henin, Jerome, Eckenhoff, Roderic, Klein, Michael L.

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 46 KB

english, 2010

9

Protein dynamics to optimize and control bacterial photosynthesis

LeBard, David N., Martin, Daniel R., Lin, Su, Woodbury, Neal W., Matyushov, Dmitry V.

Journal:

Chemical Science

Year:

2013

Language:

english

File:

PDF, 658 KB

english, 2013

10

Coulomb Soup of Bioenergetics: Electron Transfer in a Bacterial bc 1 Complex

Martin, Daniel R., LeBard, David N., Matyushov, Dmitry V.

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 1.69 MB

english, 2013

11

Ferroelectric Hydration Shells around Proteins: Electrostatics of the Protein−Water Interface

LeBard, David N., Matyushov, Dmitry V.

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 1.73 MB

english, 2010

12

Advancing simulations of biological materials: applications of coarse-grained models on graphics processing unit hardware

LeBard, David N.

Journal:

Molecular Simulation

Year:

2014

Language:

english

File:

PDF, 734 KB

english, 2014

13

Volatile General Anesthetic Interactions with a Bacterial Sodium Channel

Barber, Annika F., Raju, Srinivas G., Lebard, David, Carnevale, Vincenzo, Klein, Michael L., Covarrubias, Manuel

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 43 KB

english, 2013

14

Dominant Site Involved in Inhibition of Targets by Anesthetics Suggested Through Novel Free Energy Perturbation Calculations

LeBard, David, Brannigan, Grace, Henin, Jerome, Eckenhoff, Roderic, Klein, Michael

Journal:

Biophysical Journal

Year:

2011

Language:

english

File:

PDF, 35 KB

english, 2011

15

Binding of Isoflurane to a Bacterial Voltage-Gated Sodium Channel: Structure and Accessibility of Distinct Interaction Sites

Raju, Srinivasa G., Carnevale, Vincenzo, Lebard, David N., Barber, Annika F., Klein, Michael L.

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 43 KB

english, 2013

16

Magnesium-Dependent RNA Binding to the PA Endonuclease Domain of the Avian Influenza Polymerase

Xiao, Shiyan, Klein, Michael L., LeBard, David N., Levine, Benjamin G., Liang, Haojun, MacDermaid, Christopher M., Alfonso-Prieto, Mercedes

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 4.93 MB

english, 2014

17

Protein–water electrostatics and principles of bioenergetics

LeBard, David N., Matyushov, Dmitry V.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 2.08 MB

english, 2010

18

Energetics of Bacterial Photosynthesis

LeBard, David N., Matyushov, Dmitry V.

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 699 KB

english, 2009

19

Solvent Reorganization Energy of Charge Transfer in DNA Hairpins

LeBard, David N., Lilichenko, Mark, Matyushov, Dmitry V., Berlin, Yuri A., Ratner, Mark A.

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 189 KB

english, 2003

20

Glassy Protein Dynamics and Gigantic Solvent Reorganization Energy of Plastocyanin

LeBard, David N., Matyushov, Dmitry V.

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 310 KB

english, 2008

21

Energetics and Kinetics of Primary Charge Separation in Bacterial Photosynthesis

LeBard, David N., Kapko, Vitaliy, Matyushov, Dmitry V.

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 1.06 MB

english, 2008

22

Dynamical transition, hydrophobic interface, and the temperature dependence of electrostatic fluctuations in proteins

LeBard, David N., Matyushov, Dmitry V.

Journal:

Physical Review E

Year:

2008

Language:

english

File:

PDF, 249 KB

english, 2008

23

Exploring Volatile General Anesthetic Binding to a Closed Membrane-Bound Bacterial Voltage-Gated Sodium Channel via Computation

Raju, S. G., Barber, Annika F., LeBard, David N., Klein, Michael L., Carnevale, Vincenzo, Tajkhorshid, Emad

Journal:

PLoS Computational Biology

Year:

2013

Language:

english

File:

PDF, 1.54 MB

english, 2013

24

General Anesthetics Predicted to Block the GLIC Pore with Micromolar Affinity

LeBard, David N., Hénin, Jérôme, Eckenhoff, Roderic G., Klein, Michael L., Brannigan, Grace, Pohorille, Andrew

Journal:

PLoS Computational Biology

Year:

2012

Language:

english

File:

PDF, 270 KB

english, 2012

25

Redox entropy of plastocyanin: Developing a microscopic view of mesoscopic polar solvation

LeBard, David N., Matyushov, Dmitry V.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 470 KB

english, 2008

26

Multiple binding sites for the general anesthetic isoflurane identified in the nicotinic acetylcholine receptor transmembrane domain

Grace Brannigan, David N. LeBard, Jérôme Hénin, Roderic G. Eckenhoff and Michael L. Klein

Journal:

Proceedings of the National Academy of Sciences

Year:

2010

Language:

english

File:

PDF, 1.37 MB

english, 2010

27

Accurate Modeling of Scaffold Hopping Transformations in Drug Discovery

Wang, Lingle, Deng, Yuqing, Wu, Yujie, Kim, Byungchan, LeBard, David N., Wandschneider, Dan, Beachy, Mike, Friesner, Richard A, Abel, Robert

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 3.48 MB

english, 2016

28

Return of spontaneous circulation after an out-of-hospital cardiac arrest: An acute brain injury like others?

Engrand, Nicolas, Lebard, Christophe, Luis, David, Dinkelacker, Vera

Journal:

Year:

2020

File:

PDF, 247 KB

2020