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
Bethesda, MD 20892-5690


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

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Date: Oct. 31, 2019
Speaker: Dr. Shasha Feng
Affiliation: Lehigh University, Pennsylvania
Presentation: "Localization and Dynamics of Quinone in Archaeal Membranes"
Speaker: Dr. Soohyung Park
Affiliation: Lehigh University, Pennsylvania
Presentation: "Lateral pressure in asymmetric membranes"

Date: Nov. 14, 2019
Speaker: Dr. Shuqiang Niu
Affiliation: Texas A&M University
Presentation: "Challenge in Deeply Understanding Hypotheses of Alzhaimer's Diseases Pathophysiology"

Date: Nov. 15, 2019
Speaker: Dr. Brooke E. Husic
Affiliation: Department of Mathematics and Computer Science, Freie Universität Berlin
Presentation: "Machine Learning and Markov State Modeling Applied to Simulation Studies of Proteins"

Date: Nov. 21, 2019
Speaker: Martin R. Schenk
Affiliation: Bonn-Rhein-Sieg University of Applied Sciences, Sankt Augustin
Presentation: "Quantum and Molecular Mechanics Studies of the Ring Puckering of Cyclopentane, Methylcyclopentane and Ethylcyclopentane"

Date: Dec. 12, 2019
Speaker: Dr. Andreas Krämer
Affiliation: Laboratory of Computational Biology
Presentation: "Automated Optimization of the CHARMM Lipid Force Field"

Date: Dec. 19, 2019
Speaker: Ana Damjanovic;
Affiliation: Johns Hopkins University
Presentation: "How pH Modulates the Conductance of A Sodium Channel"

Date: Jan. 23, 2020
Speaker: Yalun Yu
Affiliation: University of Maryland
Presentation: "Modifying the CHARMM C36 lipid force field for LJPME simulation"

Date: Jan. 27, 2020
Speaker: Andreas Kramer
Affiliation: Laboratory of Computational Biology
Presentation: "Enhanced Sampling of Peptide and Small-molecule Insertion into Membranes"

Date: Jan. 31, 2020
Speaker: Prof. Peter Olmsted
Affiliation: Dept of Physics, Georgetown University
Presentation: "Asymmetry, metastable phases, and flip-flip in lipid bilayers"
Date: Mar. 10, 2020
Speaker: Dr. Qianyi Cheng
Affiliation: Chemistry Dept., University of Memphis
Presentation: "Application of RINRUS in Studying Enzymatic Reactions"
Speaker: Thomas Summers
Affiliation: Chemistry Dept., University of Memphis
Presentation: "Towards the automation of the design and construction of protein QM-models"

Date: Mar. 12, 2020
Speaker: Dr. Zachary Jarin
Affiliation: Pritzker School of Molecular Engineering, University of Chicago
Presentation: "Coarse-grained approaches to understanding I-BAR domain organization"

Date: May 28, 2020
Speaker: Mahdi Ghorbani
Affiliation: The Laboratory of Computational Biology, NHLBI, NIH
Presentation: "Molecular dynamic simulation and in-silico ala-scanning unravel critical hot-spots for binding of nCOV-2019 to its receptor ACE2"

Date: June 4, 2020
Speaker: Dr. Phillip Hudson
Affiliation: The Laboratory of Computational Biology, NHLBI, NIH
Presentation: "Breakthroughs in Obtaining QM/MM Free Energies"

Date: June 11, 2020
Speaker: Dr. Andrew Simmonett
Affiliation: The Laboratory of Computational Biology, NHLBI, NIH
Presentation: "OpenMM and friends"

Date: June 18, 2020
Speaker: Dr. Michael Jones
Affiliation: The Laboratory of Computational Biology, NHLBI, NIH
Presentation: "Revisiting the Double Link Atom Approach for QM/MM Simulations"

Date: June 25, 2020
Speaker: Dr. Xiongwu Wu
Affiliation: The Laboratory of Computational Biology, NHLBI, NIH
Presentation: “Generalized Self-Guided Molecular Simulation Method: SGMDg/SGLDg”

Date: Jul. 9, 2020
Speaker: Yalun Yu
Affiliation: The Laboratory of Computational Biology. NHLBI, NIH
Presentation: “A recent update on the CHARMM36 united atom chain model for membrane simulations”

Date: Jul. 16, 2020
Speaker: Dr. Samarjeet
Affiliation: The Laboratory of Computational Biology
Presentation: TBA

Date: Jul. 23, 2020
Speaker: Ben Pollard
Affiliation: Woodcock Research Group, USF
Presentation: TBA

Date: Jul. 30, 2020
Speaker: Fiona Kearns
Affiliation: Woodcock Research Group, USF
Presentation: TBA

Date: Aug. 6, 2020
Speaker: Dr. David Winogradoff
Affiliation: Center for the Physics of Living Cells and Physics Department, University of Illinois at Urbana-Champaign
Presentation: "Modeling nucleosomes, protein unfolding, and the nuclear pore complex"

Date: Aug. 13, 2020
Speaker: Dr. Christian Jorgensen
Affiliation: Johns Hopkins University
Presentation: "Simulations of transport across the blood-brain barrier"

Date: Aug. 20, 2020
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Date: Aug. 27, 2020
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Date: Sept. 3, 2020
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Date: Sept. 10, 2020
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Date: Sept. 17, 2020
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Date: Sept. 24, 2020
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Last edited by Ruben; 07/08/20 04:33 PM.