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Hi,

Dr. Sergio A. Hassan, CIT, will give a presentation for this week's group meeting. His title is:

"Toward the development of a comprehensive continuum description of biomolecules for large-scale Molecular Mechanics simulations"

See you all Thursday at 12:00pm, Building 50, Room 3328.

Xiongwu Wu, Ph.D
NIH, NHLBI
Building 50, Room 3308
50 South Drive, MSC 8014
Bethesda, MD 20892-8014
Tel: (301)451-6251
Fax: (301)402-3404


Xiongwu Wu, Ph.D
NIH, NHLBI
5635 Fishers Lane, Room T904, MSC 9314
Bethesda, MD 20892-9314
Joined: Sep 2003
Posts: 134
wxw Offline
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Hi,

Dr. Gorge Stan of NHLBI will present his recent study this Thursday. His presentation title is:

"Computational studies of chaperonin-mediated protein folding".

See you all Thursday at 12:00pm, Building 50, Room 3328.

Xiongwu Wu, Ph.D
NIH, NHLBI
Building 50, Room 3308
50 South Drive, MSC 8014
Bethesda, MD 20892-8014
Tel: (301)451-6251
Fax: (301)402-3404


Xiongwu Wu, Ph.D
NIH, NHLBI
5635 Fishers Lane, Room T904, MSC 9314
Bethesda, MD 20892-9314
Joined: Sep 2003
Posts: 134
wxw Offline
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Posts: 134
Hi,

Dr. Jeffery Klauda of NHBLI will present his recent research for this week's group meeting. His title is:

"The evaluation and improvement of force fields: Alkanes and their relation to lipid tails and beta-hairpin folding."


See you all Thursday at 12:00pm, Building 50, Room 3328.

Xiongwu Wu, Ph.D
NIH, NHLBI
Building 50, Room 3308
50 South Drive, MSC 8014
Bethesda, MD 20892-8014
Tel: (301)451-6251
Fax: (301)402-3404


Xiongwu Wu, Ph.D
NIH, NHLBI
5635 Fishers Lane, Room T904, MSC 9314
Bethesda, MD 20892-9314
Joined: Sep 2003
Posts: 134
wxw Offline
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Posts: 134
Hi,

This week's group meeting will be held joint with the Lab meeting of Laboratory of Biophysical Chemistry, NHLBI. Dr. Gary Holtom of PNL will present his research entitled:
"CARS microscopy: not just Raman imaging of live cells".

You are welcome to attend if you are interested in this topic.

See you Thursday at 12:00pm, Building 50, Room 3328.

Xiongwu Wu, Ph.D
NIH, NHLBI
Building 50, Room 3308
50 South Drive, MSC 8014
Bethesda, MD 20892-8014
Tel: (301)451-6251
Fax: (301)402-3404


Xiongwu Wu, Ph.D
NIH, NHLBI
5635 Fishers Lane, Room T904, MSC 9314
Bethesda, MD 20892-9314
Joined: Sep 2003
Posts: 134
wxw Offline
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Posts: 134
Hi, all,

This week's group meeting will not be held. Instead, we have Professor Austen Angell, Department of Chemistry and Biochemistry, Arizona State University, to present a seminar on February 20 Friday, 2004 from 12:15 PM until 1:15 PM in Building 50, 2nd Floor Library (Room 2328). His title is:
"Cold Folding Studies Of Lysozyme Using A Novel Solvent In Which Folding Energetics Are Unchanged, Unfolded Protein Does Not Aggregate, And Ice Never Forms".

You are welcome to join the seminar.

Xiongwu Wu, Ph.D
NIH, NHLBI
Building 50, Room 3308
50 South Drive, MSC 8014
Bethesda, MD 20892-8014
Tel: (301)451-6251
Fax: (301)402-3404


Xiongwu Wu, Ph.D
NIH, NHLBI
5635 Fishers Lane, Room T904, MSC 9314
Bethesda, MD 20892-9314
Joined: Sep 2003
Posts: 134
wxw Offline
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Hi, all,

Dr. Christine Peter (NIDDK) will present for this week's group meeting. Her title is:

"Effects of different treatments of electrostatic interactions in molecular dynamics simulation"

See you all Thursday at 12:00pm, Building 50/Room 3328.

Last edited by BRBrooks; 02/26/04 10:50 AM.

Xiongwu Wu, Ph.D
NIH, NHLBI
5635 Fishers Lane, Room T904, MSC 9314
Bethesda, MD 20892-9314
Joined: Sep 2003
Posts: 134
wxw Offline
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Posts: 134
Hi,

Rick Venable from Biophysics Lab of FDA will give a presentation for this week's group meeting. His title is:
"Alpha- and beta-Octyl-Glucoside as Probes of Exocyclic Conformation and Dynamics in Simple Sugars"

See you all Thursday at 12:00pm, Building 50, Room 3328.

Xiongwu Wu, Ph.D
NIH, NHLBI
Building 50, Room 3308
50 South Drive, MSC 8014
Bethesda, MD 20892-8014
Tel: (301)451-6251
Fax: (301)402-3404


Xiongwu Wu, Ph.D
NIH, NHLBI
5635 Fishers Lane, Room T904, MSC 9314
Bethesda, MD 20892-9314
Joined: Sep 2003
Posts: 134
wxw Offline
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Hi,
Please be informed that the speaker for this week's group meeting is changed to Dr. Christian S. Parry from University of Massachusetts Medical School, Department of Pathology, Worcester, Massachusetts. His title is:
"Crystallographic structure of the human leukocyte antigen DR52a (DRB3*0101) at 2.2A resolution: Functional and comparative analysis of class II MHC molecules."

See you all this Thursday at 12:00pm, Building 50/Room 3328.

Xiongwu Wu, Ph.D
NIH, NHLBI
Building 50, Room 3308
50 South Drive, MSC 8014
Bethesda, MD 20892-8014
Tel: (301)451-6251
Fax: (301)402-3404


Xiongwu Wu, Ph.D
NIH, NHLBI
5635 Fishers Lane, Room T904, MSC 9314
Bethesda, MD 20892-9314
Joined: Sep 2003
Posts: 134
wxw Offline
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Posts: 134
Hi,

This week we have two group meetings, one is regular on Thursday at 12:00pm, the other is on Friday at 10:00am.

On Thursday at 12:00pm, Rick Venable from Biophysics Lab of FDA will give a presentation. His title is:
"Alpha- and beta-Octyl-Glucoside as Probes of Exocyclic Conformation and Dynamics in Simple Sugars"

On Friday 10:00am, Prof. Robert A. Latour Jr., from Clemson University, Clemson, SC, will present. His title and abstract is:

"Molecular Simulation of Protein Adsorption to Materials Surfaces

When a protein containing solution comes in contact with a materials surface, proteins tend to rapidly and irreversibly adsorb on the surface. The thermodynamics and kinetics of the adsorption processes determine a protein’s orientation and conformation on the surface, which, in turn, determine whether the bioactive sites of the protein are available to perform desired functions, such as biosignaling, biosensing, biocatalysis, or self-assembly. Accordingly, the control of protein adsorption to materials surfaces is of fundamental importance in a broad range of applications in medical technology, biotechnology, and nanotechnology. While much has been learned, experimental studies conducted over the past several decades have not provided sufficient understanding to enable protein adsorption behavior to be either predicted or controlled. In contrast to this, molecular simulation methods have great potential to provide the needed molecular-level understanding and predictive capabilities of protein adsorption behavior. However, previously developed force fields and simulation methods were not developed with this application in mind and are not well suited for the simulation of protein adsorption to materials surfaces. Prof. Latour’s research over the past seven years has focused on the evaluation and development of modeling and supporting experimental methods that are needed to enable protein adsorption to be accurately simulated. There are basically five areas of development that are needed: 1) force field development, 2) methods for predicting adsorbed protein orientation, 3) methods for predicting adsorbed protein conformation, 4) methods for assessing adsorbed protein bioactivity, and 5) methods to validate areas 1 through 4. Our approaches to each of these areas will be addressed in this seminar. We seek to develop effective methods that will enable protein adsorption behavior to be accurately simulated so that these capabilities can be used as a tool for the design of materials surfaces to control the behavior of adsorbing proteins."





See you all Thursday at 12:00pm and Friday 10:00am at Building 50, Room 3328.

Xiongwu Wu, Ph.D
NIH, NHLBI
Building 50, Room 3308
50 South Drive, MSC 8014
Bethesda, MD 20892-8014
Tel: (301)451-6251
Fax: (301)402-3404


Xiongwu Wu, Ph.D
NIH, NHLBI
5635 Fishers Lane, Room T904, MSC 9314
Bethesda, MD 20892-9314
Joined: Sep 2003
Posts: 134
wxw Offline
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Joined: Sep 2003
Posts: 134
Water, Water Everywhere!

This is the title of Prof. Toshiko Ichiye (Georgetown University), who will present for this week's group meeting.

See you all Thursday at 12:00pm, Building 50/room 3328.

Xiongwu Wu, Ph.D
NIH, NHLBI
Building 50, Room 3308
50 South Drive, MSC 8014
Bethesda, MD 20892-8014
Tel: (301)451-6251
Fax: (301)402-3404


Xiongwu Wu, Ph.D
NIH, NHLBI
5635 Fishers Lane, Room T904, MSC 9314
Bethesda, MD 20892-9314
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