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Computational Research in Molecular Chemistry
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McCammon Lab Seminars

Weekly Meetings [archived]

Weekly meetings are held biweekly on Wednesdays from 11:30 AM to 1:00 PM in Urey Hall 2205 (Keck II). Catering is provided.

Current seminars


Date Speaker Title
January 6, 2016Yinglong MiaoComputer-Aided Drug Design and Improved Methodology for Biomolecular Modeling
January 13, 2016-No Group Meeting
January 20, 2016Jacob DurrantComputer-Aided Drug Design: From Basic Science to Clinical Applications
January 27, 2016-No Group Meeting
February 3, 2016Gary HuberHydrodynamic Interactions Among Complex Bodies Using Bead Models
February 10, 2016-No Group Meeting
February 17, 2016Giulia PalermoUnraveling the mechanistic basis of protein/nucleic acid systems via computational methods
February 24, 2016-No Group Meeting
March 2, 2016-No Group Meeting
March 9, 2016Siti AzmaEnsemble Docking to Nuclear Hormone Receptors
March 16, 2016-No Group Meeting
September 21, 2016Robert MalmstromAn ensemble view of protein-ligand interactions in a canonical signaling domain
September 28, 2016-No Group Meeting
October 5, 2016Clarisse RicciCoarse-graining solvation energies: the Martini-VISM method and future directions
October 12, 2016-No Group Meeting
October 19, 2016-No Group Meeting
October 26, 2016Emilia Pecora de BarrosElectrostatic interactions as mediators in the allosteric activation of PKA RIalpha
November 2, 2016--No Group Meeting
November 9, 2016-No Group Meeting
November 16, 2016--No Group Meeting
November 30, 2016--No Group Meeting
December 7, 2016Yinglong MiaoAccelerated Computer Simulations: Method Development and Applications in Drug Discovery
December 14, 2016Giulia PalermoUnraveling the mechanistic function of the CRISPR/Cas9 system via computational methods: progresses and novel ideas
December 21, 2016--No Group Meeting
December 28, 2016--No Group Meeting
January 4, 2017--No Group Meeting
January 11, 2017Christopher LeeInvestigating Transport Properties with Multi-Scale Computable Mesh Models from Heterogeneous Structural Datasets
January 18, 2017--No Group Meeting
January 25, 2017Sophia HirakisParticle-based approaches to clearing calcium: a protein landscape model of the Sarco/Endoplasmic reticulum Calcium-ATPase (SERCA) pump for sub-cellular stochastic models
February 1, 2017--No Group Meeting
February 8, 2017Alisha CalimanExploring and Characterizing the Conformational Spaces of A2AAR and S1PR1 for the Treatment of Immunological Diseases
February 15, 2017--No Group Meeting
February 22, 2017Tavina OffuttDynamics of the R175H Mutant in the Full-Length p53 Tetramer System
March 1, 2017--No Group Meeting
March 8, 2017Gary HuberBrownye 2.0: more flexible software
March 15, 2017--No Group Meeting
March 22, 2017Ozlem DemirDynamics of Apobec3b Enzyme
March 29, 2017--No Group Meeting
April 5, 2017--No Group Meeting
April 12, 2017Lorenzo CasalinoRNA splicing: A Computational Journey from Ribozymes to Spliceosome
April 19, 2017--No Group Meeting
April 26, 2017Mindy HuangLigand association and dissociation: Case of p38 kinase
May 3, 2017--No Group Meeting
May 10, 2017Jeffrey WagnerEverything you wanted to know about APOBEC, but were too afraid to ask
May 17, 2017--No Group Meeting
May 24, 2017--Cancelled
May 31, 2017Frank NoeFrom all-atom molecular kinetics beyond the seconds timescale to cellular signal transduction
June 7, 2017--Cancelled
June 14, 2017Dan MermelsteinFast, accurate pH dependent alchemical free energy calculations towards rational drug design
June 21, 2017--No Group Meeting
June 28, 2017Ashay PatelStructure and dynamics of acyl carrier proteins and their partner proteins
July 5, 2017--No Group Meeting
July 12, 2017Mattia BernettiCharacterization of protein-ligand binding pathways via computational methods
July 19, 2017--No Group Meeting
July 26, 2017--No Group Meeting
August 2, 2017--No Group Meeting
August 9, 2017Ben JaggerQuantitative Ranking of Small Molecule Off Rates for the Beta-Cyclodextrin Host System using SEEKR
August 16, 2017--No Group Meeting
August 23, 2017Bryn TaylorDifferential Dynamics and Druggability of Chemokine Receptor CCR2
August 30, 2017--No Group Meeting
September 6, 2017Terra SztainStructure and Dynamics of Acyl Carrier Proteins
September 13, 2017--No Group Meeting
September 20, 2017Jamie SchifferTBD
September 27, 2017--No Group Meeting
October 4, 2017Clarisse RicciCurrent progress (and future directions) on the Variational Implicit Solvent Method (VISM)
October 11, 2017Christopher LeeWorking Towards GAMer 2.0: Adaptive Mesh Generation for Biological Datasets
October 18, 2017--No Group Meeting
October 25, 2017--No Group Meeting
November 1, 2017Emilia Pecora de BarrosMD in protein design: insights from simulations of designed ligand-binding proteins
November 8, 2017--No Group Meeting
November 15, 2017--No Group Meeting
November 22, 2017--No Group Meeting
November 29, 2017Sarah KochanekWhole-Virion Simulation of Influenza Reveals Novel Druggable Pockets on Surface Glycoproteins
December 6, 2017--No Group Meeting
December 13, 2017Pek IeongMechanistic insight on LpxH Cap Dynamic and Regulation
December 20, 2017--No Group Meeting
December 27, 2017--No Group Meeting
January 3, 2018--No Group Meeting
January 10, 2018Giulia PalermoMolecular mechanism and rational design of the CRISPR-Cas9 system via computational methods
January 17, 2018--No Group Meeting
January 24, 2018Maria KurnikovaCancelled
January 31, 2018--No Group Meeting
February 7, 2018Christian SeitzDeveloping a computational framework to bridge large scale chemical and biological complexity
February 14, 2018Abigail DommerUsing molecular dynamics to investigate effects of carbon chain length on monolayers of homogenous, atmospherically-relevant fatty acids
February 21, 2018--No Group Meeting
February 28, 2018Dr. Paulo C.T. SouzaThe Future Prospects of the Martini Force Field
March 7, 2018--No Group Meeting
March 14, 2018Maria KurnikovaMolecular modeling of ligand gated ionotropic receptors, pH dependent protein unfolding and other issues of proteins at the membranes
March 21, 2018--No Group Meeting
March 28, 2018--No Group Meeting
April 4, 2018--No Group Meeting
April 11, 2018Gary HuberTBD
April 18, 2018--No Group Meeting
April 25, 2018Ozlem DemirA Closer Look at a Moving Target, APOBEC3B Enzyme
May 2, 2018--No Group Meeting
May 9, 2018Zied GaiebRe-thinking Drug Discovery
May 16, 2018--No Group Meeting
May 23, 2018Ashay PatelComputer Simulations Elucidate the Differences in the Activities and Substrate Selectivities of E. coli β-hydroxyacyl-AcpP Dehydratases, FabA and FabZ
May 30, 2018--No Group Meeting
June 6, 2018--No Group Meeting
June 13, 2018Sanjib Senapati @12:30 PMBiomolecules at dance: Short stories on lipid transfer mechanism of CETP and long-term stability of DNA
June 20, 2018Terra SztainpedoneIterating MD and NMR to understand effect of substrate attachment to ACP
June 27, 2018--No Group Meeting
July 4, 2018--No Group Meeting
July 11, 2018--No Group Meeting
July 18, 2018--No Group Meeting
July 25, 2018Mindy HuangNew method is coming: Replica-exchange GaMD
August 1, 2018--No Group Meeting
August 8, 2018Ben Jagger @ 1PMQuantitative Ranking of Ligand Binding Kinetics with a Multiscale Milestoning Simulation Approach
August 15, 2018--No Group Meeting
August 22, 2018--No Group Meeting
August 29, 2018Kim McCabeMultiscale Modeling of dATP Therapy in Cardiomyocytes
September 5, 2018Arjun Saha @12:30Development and Applications in Quantum Chemistry and Applications of Cheminformatics in Drug Discovery
September 12, 2018--No Group Meeting
September 19, 2018Wen MaMechanochemical transduction and allostery in molecular motors studied by atomistic simulations at millisecond timescale
September 26, 2018--No Group Meeting
October 3, 2018Joanna TrylskaDesigning oligonucleotides targeting bacterial RNA
October 10, 2018--No Group Meeting
October 17, 2018Sophia HirakisThe implications of cardiac remodeling on the sub-cellular level: spatial inquiries through the lens of the computational microscope
October 24, 2018--No Group Meeting
October 31, 2018Sarah KochanekOn the Structural Basis for Group 1 Influenza Hemagglutinin Inhibition by Arbidol
November 7, 2018--No Group Meeting
November 14, 2018Bryn Taylor @1pmTBD
November 21, 2018--No Group Meeting
November 28, 2018No Group Meeting
December 5, 2018Janssen Pharmaceutical @ 11:00 AMMcCammon, Amaro, Gilson joint meeting
December 12, 2018Lorenzo CasalinoTBD
December 19, 2018--No Group Meeting
December 26, 2018--No Group Meeting
January 16, 2019Christopher LeeTBD
January 23, 2019--No Group Meeting
January 30, 2019Christian SeitzTBD
February 6, 2019--No Group Meeting
February 13, 2019Mindy Huang @12 PMTBD
February 20, 2019--No Group Meeting
February 27, 2019Joachim DzubiellaTBD
March 6, 2019--No Group Meeting
March 13, 2019Shirley Ahn @12 PMTBD
March 20, 2019--No Group Meeting
March 27, 2019--No Group Meeting
April 3, 2019Abigail DommerBiotransformation of Marine Aerosols
April 10, 2019--No Group Meeting
April 17, 2019Gary HuberTBD
April 24, 2019--No Group Meeting
May 1, 2019Emilia Pecora de BarrosTBD
May 8, 2019--No Group Meeting
May 15, 2019Gary HuberTBD
May 22, 2019--No Group Meeting
May 29, 2019---No Group Meeting
June 5, 2019--No Group Meeting
June 12, 2019Terra Stainpedone @ 12pmTBD
June 19, 2019--No Group Meeting
June 26, 2019Alexandr KornevTBD
July 3, 2019--No Group Meeting
July 10, 2019Ozlem DemirTBD
July 17, 2019--No Group Meeting
July 24, 2019Ashay PatelTBD
July 31, 2019--No Group Meeting
August 7, 2019--No Group Meeting
August 14, 2019Prof. Andrea CavalliTBD
August 21, 2019--No Group Meeting
August 28, 2019--No Group Meeting (ACS in SD)
September 4, 2019--No Group Meeting
September 11, 2019--No Group Meeting
September 18, 2019Conor ParksTBD
September 25, 2019--No Group Meeting
October 2, 2019--No Group Meeting
October 9, 2019Wen MaTBD
October 16, 2019--No Group Meeting
October 23, 2019Zied GaiebTBD
October 30, 2019--No Group Meeting
November 6, 2019Sarah KochanekTBD
November 13, 2019--No Group Meeting
November 20, 2019Ben JaggerTBD
November 27, 2019--No Group Meeting
December 4, 2019Bryn TaylorTBD
December 11, 2019Andy MitchellTBA
December 18, 2019--No Group Meeting
January 8, 2020Daniel RostonTBD
January 15, 2020--No Group Meeting
January 22, 2020--No Group Meeting
January 29, 2020Abbgail DommerNo Group Meeting
February 5, 2020--No Group Meeting
February 12, 2020--No Group Meeting
February 19, 2020--No Group Meeting
February 26, 2020Nick WauerTBD
March 4, 2020Clarisse RicciTBD
March 11, 2020--No Group Meeting
March 18, 2020Lorenzo CasalinoTBD
March 25, 2020Emilia Pecora de BarrosTBD
April 1, 2020--No Group Meeting
April 8, 2020--No Group Meeting
April 15, 2020Christian SeitzTBD
April 22, 2020Mia RosenfeldTBD
April 29, 2020--No Group Meeting
May 6, 2020Shirley AhnTBD
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