McCammon Group Meeting Archive

2012

Date Speaker Title
January 4 Gary Huber Lumping of charges for faster Brownian Dynamics simulations
January 11 Paul Gasper Examining PKG regulatory domain specificity through thermodynamic integration
January 18 Levi Pierce Accelerated Molecular Dynamics on the GPU: Enhanced Sampling for the 99%
January 25 Juanma Ortiz-Sanchez Structure Based Discovery of Novel Druggable Pockets on Rho Family GTPases
February 1 Kate Rogers Host-Guest Absolute Binding Free Energy Calculations: 3rd Time's the CHARMM
February 8 Jeff Wereszczynski Simulations of Staphylococcus aureus Sortase A
February 15 Denis Bucher Modeling and Dynamics of Ca2+ Independent Phospholipase A2
February 22 Chris McClendon Correlated Motions and Allostery
February 29 - No Group Meeting
March 7 Ferran Feixas Analysis of Covalent and Non-Covalent Interactions from Electron Density-based Descriptors
March 14 Sara Nichols Androgen receptor dynamics
March 21 Changsun Eun Molecular dynamics simulation study of hydrophilic and hydrophobic interactions between nanoscale particles
March 28 - No Group Meeting
April 4 Mehrnoosh Arrar Protein-protein interactions and intermolecular glue: the story of a histone deacetylase
April 11 Vince Metzger Molecular Dynamics of Sarcoplasmic Reticulum Ca2+ ATPase (SERCA): Mechanisms of Calcium Binding, Allosteric Signaling, and Interactions with Phospholamban
April 18 Cesar Oliveira Sigma Method: Calculating Total Entropy Differences from End Points All-atom Explicit Solvent Simulations
April 25 Nuo Wang Coarse-Grain Force Fields: Towards Correctly Modeling Peptide Conformations