TCB Seminars

Spring 2018

Fri, Jun 15, 2018 Professor Neil Hunter, The University of Sheffield, Sheffield, UK
Making and Using Chlorophylls
Mon, May 21, 2018 Professor Theresa I. Windus, Iowa State University, AMES, IA
“The Molecular Sciences Software Institute: Helping the community build better and integrated software”
Fri, May 18, 2018 Dr. Arman Fathizadeh, University of Texas @ Austin, Austin, TX
MDAS: A Mixed Alchemical and Equilibrium Dynamics to Simulate Heterogeneous Dense Fluids
Mon, May 7, 2018 Professor Jeffery Klauda, University of Maryland, College Park, MD
New Developments in the CHARMM Lipid Force Field and Applications to Membrane-associated Proteins
Mon, Apr 23, 2018 Professor Heather W. Pinkett, Northwestern University, Evanston, IL
The Selective Gate: The role of ABC Transporters in Nutrient Homeostasis and Pathogenesis
Mon, Apr 16, 2018 Professor John Tomich, Ph.D., Kansas State University, Manhattan, KS
Peptide Bilayer-Now Really? What's Next?
Mon, Apr 9, 2018 Professor Jana Shen, University of Maryland, Baltimore, MD
“Mechanisms of Proton-Coupled Biological Ion and Substrate Transport”
Mon, Apr 2, 2018 Professor Gerd Bruno Rocha, Federal University of Paraiba, Paraiba, Brazil
Theoretical and Computational Strategies to Apply Quantum Chemistry Methods in Biomolecular Modeling
Mon, Mar 26, 2018 Dr. Ana Ligia Scott, UFABC , Santo Andre, Brazil
Studies about Conformational Changes and Functional Movements using Full-Atom model combined with Coarse-Grained and QM/MM
Mon, Mar 12, 2018 Professor Patrick Trouillas, Limoges University, Limoges, France
Unraveling the transport of xenobiotics (e.g. antioxidants and drugs) through membranes at an atomic resolution"
Thu, Feb 1, 2018 Dr. Suresh Gorle, U. of Texas @ El Paso, El Paso, TX
"Modeling Structure and Dynamics of RNA in the Ambience of Different Biological Processes"

Fall 2017

Mon, Nov 27, 2017 Dr. Prithviraj Nandigrami "Raj", UIUC, Urbana, IL
"Cooperative allosteric ligand binding in calmodulin"
Mon, Nov 13, 2017 Till Rudack, Ruhr-Universitat Bochum, Bochum, Germany
Reduce – Reuse – Recycle Insights into the Cellular Protein Recycling Machine by Integrative Modeling
Wed, Oct 11, 2017 Xuhui Huang, The Hong Kong University of Science and Technology, Kowloon, Hong Kong
“From Molecular Dynamics to Genomic Biology: Constructing Kinetic Network Models to Elucidate Transcriptional Fidelity of RNA Polymerase II
Thu, Sep 28, 2017 Dr. Karan Kapoor, Georgetown University, Washington, D.C.
Exploring Structure-Dynamics-Function Relationship in Proteins, Protein: Ligand and Protein: Protein Systems through Computational Methods
Mon, Jul 24, 2017 Jose D. Faraldo-Gomez, NIH - National Heart, Lung, and Blood Institute, Bethesda, MD
“Structure, specificity and membrane organization of ATP synthases”
Wed, Jul 19, 2017 Brian Radak, Argonne Leadership Computing Facility, Argonne, IL
“Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems with NAMD”
Fri, Jul 14, 2017 Lukas F. Milles, Hermann Gaub - Ludwig-Maximilians-University, Munich, Germany
Deciphering single molecule mechanics of pathogenic adhesion to host proteins in vitro and in silico

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