Meetings

Meeting Duration: 12:00PM - 1:30PM

Dd

Date:

June 28, 2016

Time:

12:00 pm

"Accelerating Protein-Ligand Docking Using FFTs on GPUs.”

Date:

May 31, 2016

Time:

12:00 pm

Speaker:

Xinqiang Ding

Impromptu meetings

Date:

May 17, 2016

Time:

12:00 pm

Speaker:

Various Speakers

Predicting binding affinities in a combinatorial chemical space using multi site lambda dynamics

Date:

May 10, 2016

Time:

12:00 pm

Speaker:

Kira Armacost

Integrating The Influence Of Denaturants In Native-centric Protein Folding Models

Date:

April 26, 2016

Time:

12:00 pm

Speaker:

Shuai Wei

Talk Title: PH Dependent Chemical Shifts Of Model Peptides

Date:

April 19, 2016

Time:

12:00 pm

Speaker:

Efrosini Artikis

Developing Med25-VP16 Tethered Complex Model

Date:

April 12, 2016

Time:

12:00 pm

Speaker:

Nick Foster

Folding And Transcriptional Regulation Of The PreQ1 Riboswitch

Date:

March 29, 2016

Time:

12:00 pm

Speaker:

Ryan Hayes And Julia Widom

Topological Folding Of Hairpin Ribozyme

Date:

March 22, 2016

Time:

12:00 pm

Location:

2404

Speaker:

Alex Dickson

TBD

Date:

March 8, 2016

Time:

12:00 pm

Location:

2404

Speaker:

Aaron Frank

Research Update With Kira Armacost

Date:

February 23, 2016

Time:

12:00 pm

Speaker:

Kira Armacost

Investigating The Energy Landscape Of Ribonuclease H

Date:

February 16, 2016

Time:

12:00 pm

Location:

2404

Speaker:

Liz Gichana

An Improved Search Algorithm For Protein-ligand Docking Using FFT

Date:

February 9, 2016

Time:

12:00 pm

Location:

Xinqiang Ding

TBD

Date:

February 2, 2016

Time:

12:00 pm

Location:

2404

Speaker:

Shuai Wei

Ph-dependent Random Coil NMR Chemical Shifts

Date:

January 26, 2016

Time:

12:00 pm

Location:

2404

Speaker:

Efrosini Artikis

Postdoc Interviewee Talk

Date:

January 19, 2016

Time:

12:00 pm

Location:

2404

Speaker:

Garrett Meek

Brooks Group Impromptu Talks

Date:

January 5, 2016

Time:

12:00 pm

Location:

2404

Speaker:

Various Speakers

End Of Rotation Talk

Date:

December 9, 2015

Time:

12:00 pm

Location:

Chem 2000 Conf. Room

Speaker:

Maral Budak

A Benchmark Study Of Four Molecular Docking Programs

Date:

December 1, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Yanming Wang

Topological Modifications Affect Docking, Folding, And Allostery

Date:

November 24, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Alex Morriss Andrews

TBD

Date:

November 17, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Aaron Frank

Predicting Binding Free Energies In A Combinatorial Chemical Space Using Multisite Lambda Dynamics

Date:

November 3, 2015

Time:

12:15 pm

Location:

2404

Speaker:

Kira Armacost

Building A Predictive Coarse-Grained Force Field For Protein-Protein Interactions

Date:

October 27, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Logan Ahlstrom

Building A Predictive Coarse-Grained Force Field For Protein-Protein Interactions

Date:

October 27, 2015

Time:

12:15 pm

Location:

2404

Speaker:

Logan S. Ahlstrom

E-mail:

N/A

Troy Wymore Of ORNL Special Talk To Brooks Group On QM/MM

Date:

October 9, 2015

Time:

12:00 pm

Location:

2404

Jonah Vilseck Postdoc Interview Talk

Date:

September 29, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Jonah Vilsek

Exploring The Solvent Environment Of Biomolecular Systems

Date:

September 9, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Evan Arthur

Insights On How HRAS Becomes Activated And Inactivated

Date:

September 2, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Xinqiang Ding

Calculation Of The Relative Free Energies Of Benzene Derivatives And HIV-RT Inhibitors Using MSλD

Date:

August 26, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Tricia Charles

KB Go-like Model With Denaturants And Folding Of Beta2-microglobins.

Date:

August 19, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Shuai Wei

Impromptu Research Talks

Date:

July 29, 2015

Time:

12:00 pm

Location:

2404

PH Dependence Of Folate Receptor Interactions

Date:

July 15, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Elena Laricheva

Dynamics Of Protein-ligand Interactions In Enoyl Reductase (ER) Domain From Curacin And Jamaicamaide Pathways

Date:

July 1, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Karunesh Arora

Flexible Receptor Docking Method Development And Molecular Dynamics Investigations Of Small Molecule-protein Interactions

Date:

June 24, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Jessica Gagnon

Toward PH-dependent NMR Chemical Shifts

Date:

June 10, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Efrosini Artikis

Return Of The RNA

Date:

May 20, 2015

Time:

12:00 pm

Speaker:

Garrett Goh

Impropmtu Talks

Date:

May 13, 2015

Time:

12:00 pm

Speaker:

Various Speakers

Allosteric Binding To KIX And Topological Folding Of Hairpin Ribozyme

Date:

May 6, 2015

Time:

12:00 pm

Location:

Alex Morris-Andrews

CUDA-GBSW And CUDA-CpHMD

Date:

April 29, 2015

Time:

12:00 pm

Speaker:

Evan Arthur

Chemical Shift Guided Modeling And Simulation Of Biomolecules: Still Work In Progress

Date:

April 22, 2015

Time:

12:00 pm

Location:

Chem 2404

Speaker:

Aaron T. Frank

E-mail:

N/A

Special Group Meeting - Undergrad Presentations

Date:

April 16, 2015

Time:

12:30 pm

Location:

2404

Speaker:

Fahad Sarvari, Blair Whittington, Jade Varineau, Jessica Sullivan

WEUS -ed To Be Friends: Mechanisms Of Dissociation For Long-lived Complexes With Window Exchange Umbrella Sampling

Date:

April 8, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Alex Dickson

Impromptu Research Talks

Date:

April 1, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Various Group Members

Postdoc Interview Talk - Title TBD

Date:

March 25, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Ryan Hayes - Postdoc Applicant

Determination Of The Binding Free Energy And Specificity Of Protein-Ligand Interactions

Date:

March 18, 2015

Time:

12:00 pm

Speaker:

Kira Armacost

Using Simple Models To Help Understand Complex Chaperone Mechanisms

Date:

March 11, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Logan S. Ahlstrom

Protein Folding In Osmolytes With KB Go-like Model And The Application To Biosensor Design

Date:

March 4, 2015

Time:

12:00 pm

Speaker:

Shuai Wei

E-mail:

N/A

Impromptu Research Talks

Date:

February 18, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Various Speakers

Cryo-EM Density Map Guided Folding Of Proteins

Date:

February 11, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Xinqiang Ding

TBD

Date:

February 4, 2015

Time:

12:00 pm

Speaker:

Karunesh

Flexible CDOCKER: Challenges Of Including Receptor Flexibility In Docking

Date:

January 26, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Jessica Gagnon

Investigating The Folding Landscape Along The RNase H Ancestral Line

Date:

January 21, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Liz Gichana

Current Challenges Of Modeling Ionic Surfactants In All-Atom MD Simulations

Date:

January 14, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Garrett Goh

Impromptu Research Talks

Date:

January 7, 2015

Time:

12:00 pm

Location:

2404

Speaker:

Various Speakers

Ruotolo Lab Collaboration Meeting

Date:

December 17, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Joe Eschweiler

PH Dependent Aggregation Propensity Of β-microglobulin Variants

Date:

December 10, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Mina Jafari

Towards PH Dependent NMR Chemical Shifts

Date:

December 3, 2014

Time:

12:00 pm

Location:

Efrosini Artikis

Impromptu Research Talks

Date:

November 19, 2014

Time:

12:00 pm

Speaker:

Various Speakers

Tackling Pharmacological Problems Using Multiscale Models And Enhanced Sampling Methods For Molecular Dynamics

Date:

November 5, 2014

Time:

12:00 pm

Speaker:

Alex Dickson

Implementing CUDA-GBSW

Date:

October 29, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Evan Arthur

Impromptu Research Talks

Date:

October 22, 2014

Time:

12:00 pm

Speaker:

Various Speakers

Distance-Based Approach To Predicting Chemical Shifts : Towards Chemical Shifts Guided Modeling And Simulations Of RNA

Date:

October 15, 2014

Time:

12:00 pm

Location:

Aaron Frank

Special Group Meeting With MSU Professor Kennie Merz

Date:

October 10, 2014

Time:

12:30 pm

Location:

2000 Conf. Room, 12:30 PM - 2 PM

Speaker:

Kennie Merz

Probing PH-dependent Stability Mechanism Of Acanthaporin

Date:

October 8, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Huiyu Li

MMTSB Programming Meeting

Date:

October 1, 2014

Time:

12:00 pm

Location:

2000 Chem

Speaker:

David Braun

Biasing Potential Replica Exchange Multi-Site λ-Dynamics For Efficient Free Energy Calculations

Date:

September 24, 2014

Time:

12:00 pm

Speaker:

Kira Armacost

Toward Multiscale And Integrative Modeling Of Protein-Protein Interactions

Date:

September 10, 2014

Time:

12:00 pm

Speaker:

Logan S. Ahlstrom

Influenza A M2 Proton Channel, Insights From Constant PH Molecular Dynamics

Date:

September 3, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Afra Panahi

Protein Based Biosensors

Date:

August 27, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Shuai Wei

Impromptu Research Talks

Date:

August 20, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Various Speakers

Fluorescent Proteins As PH Sensors: Insights From Constant PH Molecular Dynamics

Date:

August 6, 2014

Time:

12:00 pm

Speaker:

Elena Laricheva

Proteins As Intracellular PH Sensors

Date:

July 16, 2014

Time:

12:00 pm

Speaker:

Sean M. Law

Breaking Up Is Hard To Do: Sampling Extremely Rare Dissociation Processes With Nonequilibrium Umbrella Sampling

Date:

July 2, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Alex Dickson

Identifying Potential Ras-binding Proteins Through Protein Interface Comparison.

Date:

June 25, 2014

Time:

12:00 pm

Speaker:

Xinqiang Ding

Identifying Potential Ras-binding Proteins Through Protein Interface Comparison

Date:

June 25, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Xinqiang Ding

PH Dependant Alphaviral Membrane Fusion At Residual Level Resolution

Date:

June 4, 2014

Time:

12:00 pm

Speaker:

Xiancheng Zeng

Mechanistic Investigation Of Hsp70 Allostery And PH-dependent Folate Transport

Date:

May 28, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Karunesh Arora

Impromptu Research Talks

Date:

May 21, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Various Group Members

Towards Improving Sampling And Docking Accuracy Of CDOCKER

Date:

May 14, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Jessica Gagnon

A New AMBER Hope

Date:

April 30, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Garrett Goh

Investigating The Folding Landscape Along The RNase H Ancestral Line

Date:

April 23, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Liz Gichana

Protein-Ligand Docking: Method Development And Applications To CBP/p300

Date:

April 16, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Alaina Engdhal

Brooks Undergraduate Researcher Group Presentations

Date:

April 15, 2014

Time:

4:00 pm

Location:

1400 Chem, 4-6 PM

Comparison Of Protein-protein Interfaces Applied In Influenza Inhibitor Design

Date:

April 9, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Shanshan Cheng

Understanding The Role Of Secondary Structure In RNA 3D Folding And Stability

Date:

April 2, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Tony Mustoe

Resolving RNA, RNA-small Molecule And RNA-protein Structure Using NMR Chemical Shifts: Work In Progress

Date:

March 26, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Aaron Frank

Generalized Born With A Simple SWitching Solvation (GBSW)

Date:

March 19, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Evan Arthur

Impromptu Research Talks

Date:

March 12, 2014

Time:

12:00 pm

Speaker:

Xiancheng Zeng Et.al.

Unraveling Cellulose Microfibrils: A Twisted Tale

Date:

February 26, 2014

Time:

12:00 pm

Speaker:

Jodi Hadden

Development And Benchmarking Of The Chained-MSλD Method

Date:

February 19, 2014

Time:

12:00 pm

Location:

2404

Speaker:

Kira Armacost

Capturing The PH Response Of The Acid Stress-Sensing Chaperone HdeA With A Multiscale Model

Date:

February 12, 2014

Time:

12:00 pm

Speaker:

Logan S. Ahlstrom

TBD

Date:

February 5, 2014

Time:

12:00 pm

Location:

Alex Morriss-Andrews

PH-rex Simulation Of M2 Proton Channel Of Influenza A Virus

Date:

January 29, 2014

Time:

12:00 pm

Speaker:

Afra Panahi

Short Talks

Date:

January 15, 2014

Time:

12:00 pm

Speaker:

Various Group Members

Protein-surface Interactions With Coarse Grain Model: On SAMs And Nanoparticles

Date:

December 18, 2013

Time:

12:00 pm

Location:

2404

Speaker:

Shuai Wei

Anionic Tryptophan In Cyan Fluorescent Protein: "Unsewing" The Beta-barrel

Date:

December 11, 2013

Time:

12:00 pm

Location:

2404

Speaker:

Elena Laricheva

An Accurate Cα-based Method For Predicting Protein Secondary Structure

Date:

December 4, 2013

Time:

12:00 pm

Location:

Sean Law

Development Of Constant Humidity Molecular Dynamics (CHMD) Simulation And Its Applications

Date:

November 13, 2013

Time:

12:00 pm

Location:

Taehoon Kim

WExplore: An Order-parameter Free Enhanced Sampling Method

Date:

November 6, 2013

Time:

12:00 pm

Location:

2404

Speaker:

Alex Dickson

TBD

Date:

October 30, 2013

Time:

12:00 pm

Speaker:

Somaye Badieyan

A Peek Inside Staphylococcal Nuclease

Date:

October 23, 2013

Time:

12:00 pm

Location:

2404

Speaker:

Garrett Goh

Impromptu Short Talks

Date:

October 16, 2013

Time:

12:00 pm

Location:

2404

Speaker:

Garrett Goh

PH Dependent Activation Of Alphaviral Envelope Proteins Prior To Membrane Fusion

Date:

October 9, 2013

Time:

12:00 pm

Location:

2404

Speaker:

Xiancheng Zeng

Conformational Dynamics Regulates Catalysis In Two Related Tyrosine Phosphatases

Date:

October 2, 2013

Time:

12:00 pm

Location:

2404

Speaker:

Karunesh Arora

Development And Application Of Flexible CDOCKER, A Pseudo-explicit Structure-based Docking Method

Date:

September 25, 2013

Time:

12:00 pm

Location:

2404

Speaker:

Jessica Gagnon

PCalign: A Protein-protein Interface Comparison Method With Applications To Drug Design

Date:

September 18, 2013

Time:

12:00 pm

Location:

2404

Speaker:

Shanshan Cheng

Linking RNA Secondary Structure To Folding Free Energy Though Coarse-Grained Models

Date:

September 11, 2013

Time:

12:00 pm

Location:

2404

Speaker:

Tony Mustoe

Generalized Born With A Simple SWitching Solvation (GBSW)

Date:

September 4, 2013

Time:

12:00 pm

Location:

2404

Speaker:

Evan Arthur

Folding And Binding Of The PH-sensing Bacterial Chaperone HdeA

Date:

August 28, 2013

Time:

12:00 pm

Location:

2404

Speaker:

Logan Ahlstrom

Impromptu Short Talks - Various Speakers And Topics

Date:

August 21, 2013

Time:

12:00 pm

Location:

2404

Speaker:

Josh Buckner, David Braun, Xiancheng Zeng

Investigating RNA-Ligand Interactions With NMR And Computational Docking

Date:

August 14, 2013

Time:

12:00 pm

Location:

2404

Speaker:

Joe Yesselman

Simulating Indole Rescue In Dihydrofolate Reductase

Date:

August 7, 2013

Time:

12:00 pm

Speaker:

Alexander Jalota

Title TBD

Date:

July 31, 2013

Time:

12:00 pm

Location:

2404

Speaker:

Afra Panahi

Protein-Surface/Nano-Particle Interactions With Coarse Grain Simulation

Date:

July 17, 2013

Time:

12:00 pm

Speaker:

Shuai Wei

Rhodopsin And Cyan Fluorescent Protein: Insights From Constant PH Molecular Dynamics

Date:

July 3, 2013

Time:

12:00 pm

Speaker:

Elena N. Laricheva

Investigating Cooperativity In Transcription Factor Binding To The Coactivator CREB-binding Protein (CBP)

Date:

June 26, 2013

Time:

12:00 pm

Speaker:

Sean M. Law

Development Of Constant Humidity Molecular Dynamics (CHMD) Simulation And Its Applications

Date:

June 12, 2013

Time:

12:00 pm

Location:

2404

Speaker:

Taehoon Kim

Quantifying Mediation In Protein Configuration Space Networks

Date:

June 5, 2013

Time:

12:00 pm

Speaker:

Alex Dickson

Advances In CPHMD Simulations Of Biomolecules

Date:

May 29, 2013

Time:

12:00 pm

Speaker:

Garrett Goh

Mechanism Of TRNA Selection On A Thermodynamic Basis And PH Dependent Structural Changes Of Alphaviral Envelope Proteins

Date:

May 22, 2013

Time:

12:00 pm

Speaker:

Xiancheng Zeng

Understanding The Affine Extension Symmetry Of Spherical Viruses

Date:

May 15, 2013

Time:

12:00 pm

Speaker:

David Wilson

Constant PH Molecular Dynamics Simulations Of Biomolecules In Implicit

Date:

May 1, 2013

Time:

12:00 pm

Speaker:

Bin Zhang

Exploring The Claisen Rearrangement And Aldol Reaction "on Water" And In Catalytic Antibodies Using QM/MM Simulations And The Examination Of Ligand Induced Conformational Changes In Alkanesulfonate Monooxygenase Using Molecular Dynamics.

Date:

April 24, 2013

Time:

12:00 pm

Speaker:

Kira Armacost

Exploring Biologically Relevant Species And Reactions-Small Molecules To Proteins

Date:

April 3, 2013

Time:

12:00 pm

Speaker:

Michael Cato

Elucidating Interactions Of Components Involved In MHC Class I Antigen Presentation Pathway

Date:

March 20, 2013

Time:

12:00 pm

Speaker:

Karunesh Arora

Molecular Dynamics Simulations Of RNA: (Mostly) Trust But Verify

Date:

March 13, 2013

Time:

12:00 pm

Speaker:

Niel Henriksen

ATP Modulates Calreticulin Function: Chaperone Or Lectin

Date:

February 27, 2013

Time:

12:00 pm

Speaker:

Jessica Gagnon

Understanding Conformational Dynamics Of Regulators Of G-protein Signaling (RGS) Proteins

Date:

February 20, 2013

Time:

12:00 pm

Speaker:

Harish Vashisth

Comparing Physicochemical Properties Of Protein-protein Interfaces

Date:

February 13, 2013

Time:

12:00 pm

Speaker:

Shanshan Cheng

Linking RNA Secondary Structure To Tertiary Structure Stability Though Coarse Grained Models

Date:

February 6, 2013

Time:

12:00 pm

Speaker:

Anthony Mustoe

RNA Docking: Scoring And Placement Algorithm Development

Date:

January 23, 2013

Time:

12:00 pm

Speaker:

Joseph Yesselman

Wrap-Up: pH-dependent Stability of the P19:siRNA Complex & Work in Progress: Investigating Cooperativity in CBP Coactivator Binding

Date:

January 16, 2013

Time:

12:00 pm

Speaker:

Sean M. Law

Deconstructing Activation Events In Rhodopsin

Date:

January 9, 2013

Time:

12:00 pm

Speaker:

Elena N. Laricheva

Optimizing Ligands For Creb Binding Protein

Date:

January 2, 2013

Time:

12:00 pm

Speaker:

Sarah Graham

How Homologous Are Homologous Proteins?

Date:

December 12, 2012

Time:

12:00 pm

Speaker:

Evan Arthur

Study Of The Partially Unfolded State Of HdeA

Date:

December 5, 2012

Time:

12:00 pm

Speaker:

Junjie Zou

Development Of Constant Humidity Molecular Dynamics (CHDM) Simulation And Its Application.

Date:

November 28, 2012

Time:

12:00 pm

Speaker:

Taehoon Kim

Advances In CPHMD^MSλD Simulations

Date:

November 14, 2012

Time:

12:00 pm

Speaker:

Garret Goh

Quantifying Hub-like Character In Protein Folding Landscapes

Date:

November 7, 2012

Time:

12:00 pm

Speaker:

Alex Dickson

Chemical Shifts And RNA Structure

Date:

October 31, 2012

Time:

12:00 pm

Speaker:

Aaron Frank

Ribosomal A-site Monitors TRNA Selection By Base Flipping

Date:

October 17, 2012

Time:

12:00 pm

Speaker:

Xiancheng Zeng

Protein Stabilities On Surfaces With Coarse Grained Simulation Methods.

Date:

October 15, 2012

Time:

12:00 pm

Speaker:

Shuai Wei

Using Point Arrays To Characterize Viral Capsid Maturation

Date:

October 10, 2012

Time:

12:00 pm

Speaker:

David Wilson

GBSW Implicit Solvent Model For RNA: A Discussion About Coulomb Field Approximation In CHARMM

Date:

October 3, 2012

Time:

12:00 pm

Speaker:

Bin Zhang

Investigating Interactions Between Calreticulin And Nucleotides

Date:

September 26, 2012

Time:

12:00 pm

Speaker:

Karunesh Arora

Structure Based Protein-Ligand Docking And Molecular Dynamics: Lending Insight To Experimental Data

Date:

September 19, 2012

Time:

12:00 pm

Speaker:

Jessica Gagnon

Hydrogenase

Date:

September 6, 2012

Time:

12:00 pm

Speaker:

Ana P. Gamiz-Hernandez

Enhanced Sampling For Conformational Transitions And Structural Refinement

Date:

September 5, 2012

Time:

12:00 pm

Location:

Harish Vashisth

Comparing Physicochemical Propertities Of Protein-protein Interfaces

Date:

August 29, 2012

Time:

12:00 pm

Speaker:

Shanshan Cheng

Protein Crowding Affects Hydration Structure And Dynamics

Date:

August 15, 2012

Time:

12:00 pm

Speaker:

Yuji Sugita

Implicit Membrane Model, Application And Improvement

Date:

August 2, 2012

Time:

12:15 pm

Speaker:

Afra Panahi

Adding Dynamic Insight To Protein X-ray Images By Solution And Crystal Molecular Dynamics Simulation: Case Studies Of λ Cro And Cyanovirin-N

Date:

August 1, 2012

Time:

12:00 pm

Speaker:

Logan Ahlstrom

Polymer-assisted Virus-like Assembly & DNA Translocation Through MspA

Date:

July 18, 2012

Time:

12:00 pm

Speaker:

JP Mahalik

Uncovering The Relationships Between RNA Secondary Structure, 3D Structure, And Cooperativity

Date:

June 27, 2012

Time:

12:00 pm

Speaker:

Anthony Mustoe

Reinventing Computing Paradigms And Platforms To Get More Science Out Of Our Day-to-day Simulations

Date:

June 19, 2012

Time:

12:00 pm

Speaker:

Michela Taufer

Using Chemical Shifts For Prediction Of RNA Bulge Conformations

Date:

June 13, 2012

Time:

12:00 pm

Speaker:

Joseph Yesselman

Site-Specific Dynamics At The Protein-Solvent Interface

Date:

June 6, 2012

Time:

12:00 pm

Speaker:

Evan Arthur

Ab Initio Multiconfigurational Study Of Fluorescence: From Small Organic Radical Cation To Complex Light-Sensitive Proteins

Date:

May 30, 2012

Time:

12:00 pm

Speaker:

Elena N. Laricheva

Rationalizing Structure, Stability, And Chemical Bonding Of Peculiar Clusters, Isolated And Solvated Multiply Charged Anions, And Solid State Materials

Date:

May 16, 2012

Time:

12:00 pm

Speaker:

Alina Sergeeva

Towards The Accurate First-Principles Prediction Of Ionization Equilibria In Nucleic Acids

Date:

April 18, 2012

Time:

12:00 pm

Speaker:

Garrett Goh

Investigation Of Interfacial Water Molecules Behavior: MD Simulation Of Self Assembled Monolayer (SAM) In Various Humidity.

Date:

April 11, 2012

Time:

12:00 pm

Speaker:

Taehoon Kim

AN INVESTIGATION OF THE ROLES OF MAGNESIUM IONS IN THE CATALYTIC CYCLE OF THE PROTEIN KINASE CDK2:

Date:

April 4, 2012

Time:

12:00 pm

Speaker:

Douglas Jacobsen

Biomolecular Motors And Switches: From Machines To Drugs

Date:

March 21, 2012

Time:

12:00 pm

Speaker:

Dr. Barry Grant

PH-Dependent Stability Of The P19-RNA Complex

Date:

March 7, 2012

Time:

12:00 pm

Speaker:

Sean M. Law

Enhanced Sampling Without Equilibrium Assumptions: Using Nonequilibrium Umbrella Sampling With CHARMM

Date:

February 29, 2012

Time:

12:00 pm

Speaker:

Alex Dickson

Role Of A-site In Ribosomal Translation

Date:

February 15, 2012

Time:

12:00 pm

Speaker:

Xiancheng Zeng

Connecting In 6 Dimensions. Are We There Yet?

Date:

February 8, 2012

Time:

12:00 pm

Speaker:

David Wilson

Implicit Solvent Model For Molecular Dynamics Of RNA

Date:

February 1, 2012

Time:

12:00 pm

Speaker:

Bin Zhang

Two Sides Of The Same Coin: Virus Maturation From Different Perspectives

Date:

January 25, 2012

Time:

12:00 pm

Speaker:

Eric May

Characterization Of Single-stranded RNA

Date:

January 18, 2012

Time:

12:00 pm

Speaker:

Jun Feng

Understanding Interactions Between CREB Binding Protein And Artificial Transcriptional Activator Domains

Date:

January 4, 2012

Time:

12:00 pm

Speaker:

Jessica Gagnon

Energy Landscapes Of Functional Transitions In A DNA Repair Enzyme And A G Protein Coupled Receptor

Date:

December 21, 2011

Time:

12:00 pm

Speaker:

Karunesh Arora

Understanding Large-scale Conformational Changes In The β2-adrenergic Receptor-Gs Protein Complex

Date:

November 30, 2011

Time:

12:00 pm

Speaker:

Harish Vashisth

Funding from the following agencies: