Laboratory of Computational Biology weekly seminar series

Meeting announcements for the weekly seminars hosted by the groups of Richard Pastor and Bernard Brooks (Laboratory of Computational Biology, NHLBI, NIH).


Laboratory of Computational Biology
National Heart, Lung and Blood Institute
12 South Drive, Bldg. 12A, Suite 3053
Rockville, MD 20892-5690


Unless otherwise specified, seminars are at Thursday Noon,
in the conference room 3053S of Bldg. 12A.

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Date: Sept. 14, 2017
Speaker: Dr. Xiaojing Teng
Affiliation: Georgetown University
Presentation: "Mechanical analysis of collagen and DNA"

Date: Sept. 21, 2017
Speaker: Dr. Markus Rinschen
Affiliation: Nephrolab Cologne / Nephrologisches Forschungslabor University, Köln, Germany
Presentation: "From molecules to proteomes to mechanisms: A systems approach to glomerular kidney disease."

Date: Oct. 19, 2017
Speaker: Mr. Jude Tunyi
Affiliation: NIH NHLBI/University of Washington PRG/University of California San Diego CAICE program
Presentation: "Using iTTM model with REMD to Alkali-Metal-Water-Clusters/Using MD simulations with PEG-coated Nanoparticles to Study BBB Diffusivity and Targeted Drug Delivery"

Date: Oct. 27, 2017
Speaker: Alicia Pan and Allen Pan
Affiliation: Madison High School
Presentation: "Mechanism of kinesin dimers walking on microtubules"

Date: Nov. 20, 2017
Speaker: Dr. Soohyung Park
Affiliation: Lehigh University
Presentation: “Quantitative Characterization of Cholesterol-lipid Interactions: Partitioning of Cholesterol in Binary Bilayers”

Date: Dec. 7, 2017
Speaker: Dr. Xiongwu Wu
Affiliation: LCB, NHLBI, NIH
Presentation: "The reason behind the high apparent dielectric constants in the interior of proteins"

Date: Dec. 14, 2017
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Date: Dec. 21, 2017
Speaker: Benjamin Miller
Affiliation: CIT, NIH
Presentation: "Updates to Biowulf with Applications to Simulation Science"

Date: Jan. 18, 2018
Speaker: Assoc. Prof. Nicolae-Viorel Buchete
Affiliation: School of Physics, University College Dublin
Presentation: "Kinetic Conformational Networks of Amyloid-Forming Peptides".

Date: Jan. 25, 2018
Speaker: Dr. Seyit Kale
Affiliation: NHLBI, NIH
Presentation: “Regulatory Roles of Weak Encounter Complexes Between Proteins”.

Date: Feb. 1, 2018
Speaker: Dr. Jinghuang
Affiliation: Westlake Institute for Advanced Study, Westlake University, Hangzhou, China
Presentation: "hydrogen bond dynamics of ubiquitin under elevated temperature and pressure"

Date: Feb. 5, 2018
Speaker: Prof. Pratyush Tiwary
Affiliation: Department of Chemistry and Biochemistry & Institute for Physical Science and Technology, University of Maryland
Presentation: "Reaction coordinate for enhanced sampling of biomolecules: fool's gold or an actionable concept?"

Date: Feb. 15, 2018
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Date: Feb. 22, 2018
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Date: March 1, 2018
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Date: March 7, 2018
Speaker: Dr. Neha Awasthi
Affiliation: NICHD, NIH
Presentation: “Pre-pores and pores in membranes bilayers”

Date: March 15, 2017
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Date: March 22, 2018
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Date: March 29, 2018
Speaker: Prof. Dusanka Janezic
Affiliation: University of Primorska, Koper, Slovenia
Presentation: "ProBiS tools at the PDB scale for drug discovery"

Date: April 5, 2018
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Date: April 12, 2018
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Date: April 19, 2018
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Date: April 26, 2018
Speaker: Daniel R. Roe
Affiliation: NHLBI, NIH
Presentation: "Understanding Prenyltransferase Selectivity via Computational Simulations"

Date: May 3, 2018
Speaker: Qiao Zeng
Affiliation: NIH/NHLBI
Presentation: "pKa Prediction using DFT + SMD Approach"

Date: May 10, 2018
Speaker: Nicolae-Viorel Buchete
Affiliation: University College Dublin
Presentation: "Kinetic conformational networks for folding and protein-protein interactions: From amyloid peptides to kinase signaling"

Date: May 17, 2018
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Date: May 24, 2018
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Date: May 31, 2018
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Date: June 7, 2018
Speaker: Ana Damjanovic
Affiliation: Johns Hopkins University
Presentation: "Constant pH simulations of an ion channel"


Date: June 14, 2018
Speaker: Henry Lessen
Affiliation: Johns Hopkins University
Presentation: "Building Blocks of the Outer Membrane: Calculating a general elastic energy model for beta-barrel membrane proteins"

Date: June 21, 2018
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Date: June 28, 2018

Date: July 5, 2018
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Date: July 9, 2018
Speaker: Dominik Wilde
Affiliation: Department of Electrical Engineering, Mechanical Engineering, and Technical Journalism (EMT)
Title: Multistep Integration in the Lattice Boltzmann Method: Application and Limitations (~25 min)

Speaker: Knut Küllmer
Affiliation: Department of Electrical Engineering, Mechanical Engineering, and Technical Journalism (EMT)
Title: A comparative study of forcing schemes in a multicomponent lattice Boltzmann model (~25 min)

Date: July 19, 2018
Speaker: Ville Kaila
Affiliation: Technical University of Munich
Title: Molecular Mechanisms of Biological Energy Conversion

Date: August 23, 2018
Speaker: Naohiro Nishikawa
Affiliation: NIH/NHLBI
Title: Binding Free Energy Calculations for Octa-Acids host-guest systems in SAMPL6 Blind Challenge

Date: September 6, 2018
Speaker: Phillip Hudson
Affiliation: NIH/NHLBI
Title: TBD


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Date: Nov. 15, 2018
Speaker: Prof. Ed O'Brien
Affiliation: Department of Chemistry, Pennsylvania State University
Presentation:


Edited by Dan Roe (07/03/18 01:18 PM)
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Xiongwu Wu, Ph.D
NIH, NHLBI
5635 Fishers Lane, Room T904, MSC 9314
Bethesda, MD 20892-9314