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Computational Research in Molecular Chemistry
McCammon Lab Seminars

Weekly Meetings [archived]

Weekly meetings are every Wednesday from 11:30 AM to 1:00 PM in CAICE Conference Room, 3rd Floor, Urey Hall Addition.

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
May 20, 2020Terra SztainTBD
June 3, 2020Gary HuberTBD
June 17, 2020Ashay PatelTBD
July 1, 2020Conor ParksTBD
July 15, 2020Anand OhjaTBD
July 29, 2020Wen MaTBD
August 12, 2020Andy StokelyTBD
August 26, 2020Andrew TaoTBD
September 9, 2020Emilia Pecora de BarrosTBD
September 23, 2020Terra SztainTBD
October 7, 2020Shirley AhnTBD
October 28, 2020Clarisse RicciTBD
November 4, 2020Lorenzo CasalinoTBD
November 18, 2020Nick WauerTBD
December 2, 2020Simon ParkTBD
January 13, 2021Ozlem DemirTBD
January 20, 2021Abby DommerTBD
January 27, 2021Christian SeitzTBD
February 3, 2021Ashay PatelTBD
February 10, 2021Wen MaTBD
February 24, 2021Shirley AhnTBD
March 3, 2021Gary HuberTBD
March 10, 2021Anand OjhaTBD
March 17, 2021Fiona KearnsTBD
March 31, 2021Terra SztainTBD
April 14, 2021Mia RosenfeldTBD
April 21, 2021Andy StokeleyTBD
April 28, 2021Lorenzo CasalinoTBD
May 5, 2021Clarisse RicciTBD
May 19, 2021Lane VotapkaTBD
June 9, 2021Simon ParkTBD
June 23, 2021Aashish ShivkumarTBD
June 30, 2021Mac Kevin BrazaTBD
July 7, 2021Nick WauerTBD
July 14, 2021Kyle LiTBD
July 21, 2021Clarisse RicciTBD
July 28, 2021Ozlem DemirTBD
August 4, 2021Abby DommerTBD
August 11, 2021Naoya AsadaTBD
August 18, 2021Ashay PatelTBD
September 1, 2021Wen MaTBD
September 8, 2021Fiona KearnsTBD
September 15, 2021Christian SeitzTBD
September 22, 2021Gary HuberTBD
October 13, 2021Anand OjhaTBD
October 20, 2021Shirley AhnTBD
October 22, 2021Asli IliyazTBD
November 3, 2021Andy StokeleyTBD
November 10, 2021Negin ForouzeshTBD
November 17, 2021Ilker DeveciTBD
November 22, 2021Meredith RickardTBD
December 1, 2021Ilker DeveciTBD
December 8, 2021Simon ParkTBD
December 15, 2021Anand OjhaTBD
January 12, 2022Open - no meetingTBD
January 19, 2022Aakash DavasamTBD
January 26, 2022Lorenzo CasalinoTBD
February 2, 2022Mia RosenfeldTBD
February 9, 2022Nick WauerTBD
February 16, 2022Javi SanlleyTBD
February 23, 2022Xandra NuquiTBD
March 1, 2022Haixin WeiTBD
March 2, 2022Vedran MarkotaTBD
March 9, 2022No group meeting - open dateTBD
March 16, 2022Lane VotapkaTBD
March 23, 2022ACS - no meetingTBD
March 30, 2022No group meeting - open dateTBD
April 6, 2022Special group meeting: Daniel Wigh
April 12, 2022Ilker Deveci practice exam
April 13, 2022Mo ShehataTBD
April 20, 2022Special group meeting: Susan TaylorTBD
April 27, 2022Ozlem DemirTBD
May 4, 2022Ashay PatelTBD
May 11, 2022Naoya AsadaTBD
May 18, 2022No group meetingTBD
May 25, 2022No group meetingTBD
June 1, 2022Wen MaTBD
June 8, 2022Fiona KearnsTBD
June 15, 2022Patiemma RubioTBD
June 22, 2022Gary HuberTBD
June 29, 2022Shirley AhnTBD
July 6, 2022Andy StokelyTBD
July 13, 2022Ilker DeveciTBD
July 20, 2022Simon ParkTBD
July 27, 2022Anand OjhaTBD
August 3, 2022Xandra Nuqui
August 10, 2022Ambuj Srivastava
August 17, 2022Simon Park
August 24, 2022No group meeting
August 31, 2022Anand Ojha
September 7, 2022Xandra Nuqui
September 14, 2022Aakash Davasam
September 21, 2022Mia Rosenfeld
September 30, 2022No group meeting
October 12, 2022Lorenzo Casalino
October 19, 2022Nick Wauer
October 26, 2022Ilker Deveci
November 2, 2022Christian Seitz
November 9, 2022Lane Votapka
November 16, 2022Haixin Wei
November 23, 2022No group meeting
November 30, 2022Vedran Markota
December 7, 2022Abby Dommer
December 14, 2022Mo Shehata
December 21, 2022No group meeting
December 28, 2022No group meeting
January 4, 2022No group meeting
January 11, 2023Haixin Wei
January 18, 2023Abby Dommer
January 25, 2023Mac Kevin Braza
February 1, 2023Mohamed Shehata
February 8, 2023No meeting
February 15, 2023Wen Ma
February 22, 2023No meeting, Biophysical Society Annual Meeting
February 23, 2023Aslihan Shenol Iliyaz at 12 NN - 1 PM
March 1, 2023Javier Sanlley Hernandez
March 8, 2023Clare Morris
March 15, 2023Mia Rosenfeld
March 22, 2023Fiona Kearns
March 29, 2023No meeting, ACS Meeting
April 5, 2023No meeting
April 12, 2023Gary Huber
April 19, 2023No meeting
April 26, 2023Andy Stokely
May 3, 2023No meeting
May 10, 2023Vedran Markota
May 17, 2023Anand Ojha
May 24, 2023No meeting
May 31, 2023Nicholas Wauer
June 7, 2023No meeting
June 14, 2023Rommie Amaro
June 21, 2023Ambuj Srivastava
June 28, 2023No meeting
July 5, 2023Marcus Hock
July 12, 2023No meeting
July 19, 2023No meeting
July 26, 2023Patiemma Rubio
August 2, 2023No meeting
August 9, 2023Simon Park
August 16, 2023ACS at SF, No meeting
August 23, 2023Rommie Amaro
August 30, 2023Xandra Nuqui
September 6, 2023Lane Votapka
September 13, 2023No meeting
September 20, 2023No meeting
September 27, 2023Aakash Davasam
October 4, 2023Willa Wang
October 11, 2023Lane Votapka
October 18, 2023Wen Ma
October 25, 2023Lorenzo Casalino
November 1, 2023Haixin Wei
November 8, 2023Gary Huber
November 15, 2023No meeting
November 22, 2023No meeting
November 29, 2023No meeting
December 6, 2023No meeting
December 13, 2023Mohamed ShehataComputational-driven stabilization of proteins
December 20, 2023Caesar Tawfeeq (Prof. Susan Taylor’s group)Structural and Mechanistic Insights into Subtype-Specific Protein Kinase A Subunits
December 27, 2023No meeting
January 3, 2024No meeting
January 10, 2024No meeting
January 17, 2024No meeting
January 24, 2024No meeting
January 31, 2024No meeting
February 7, 2024Alma C. CastanedaFree Energy Calculations of the SARS-CoV-2 Helicase & Strategies for its Inhibition
February 14, 2024Patiemma RubioCharacterization of Influenza Hemagglutinin and Neuraminidase Dynamics in Respiratory Aerosols
February 21, 2024Ashlyn MurphyCharacterizing the Effects of Glycosylation on HIV-1 Envelope Protein Dynamics and Interactions With Cervical Mucins
February 28, 2024Anson NolandInforming Mesoscale Models with Kinetic Rate Constants from Multiscale Simulation
March 6, 2024Toheeb BalogunStructural Insights into the Dynamics of Bat Coronavirus Spike Glycoprotein: Model Building
March 13, 2024Abigail DommerAbby’s Last Group Meeting: Multi-Scale Modeling of Bioaerosols
March 20, 2024No meetingACS New Orleans
March 27, 2024Simon ParkComputational Analysis of Nanosota and SARS-CoV-2 RBD interactions
April 3, 2024No meeting
April 10, 2024Mia RosenfeldMia’s Last Group Meeting
April 17, 2024Fiona KearnsBreaking Down the Bottlebrush: Atomically-Detailed Structural Dynamics of Mucins
April 24, 2024No meeting
May 1, 2024Clare MorrisAllosteric Inhibition of APOBEC3B
May 8, 2024No meeting
May 15, 2024Nicholas Wauer
May 22, 2024Javier O. Sanlley
May 29, 2024Anand Ojha thesis defense"Integrating multiscale simulations, path-splitting methods and deep learning for enhanced kinetic and thermodynamic predictions and efficiency in biomolecular dynamics" 9:30 am at Urey Hall 2102
June 5, 2024Ambuj Srivastava
June 12, 2024Matteo Castelli
June 19, 2024No meetingJuneteenth National Independence Day
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