Publications

Citation Summary: Google Scholar citation report

2016
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Agarwal, P. K.*; Naughton, T. J.; Alam, S. R.; Park, B. H.; Bernholdt, D. E.; Hursey, J. J.; Geist, A., "Application Self-health Monitoring for Extreme-scale Resiliency using Cooperative Fault Management",

Concurrency and Computation: Practice and Experience . Under Revision.
2016
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Bhojane, P.; Duff Jr., M. R.; Bafna, K.; Rimmer, G.; Agarwal, P. K.; Howell, E. E., "Fifty Shades of Interaction between Folate and Glycine Betaine"

(2016), Biochemistry, Submitted.
2016
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Duff Jr., M. R.; Borreguero, J. M.; Cueno, M.; Ramanathan, A.; He, J.; Kamath, G.; Chennubhotla, C.S.; Meilleur, F.; Howell, E. E.; Herwig, K. W.; Myles, D. A. A.; Agarwal, P. K.*,

(2016), "Intertwining of solvent and dynamics affects enzyme catalysis" (2016), Submitted.
2016
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Agarwal, P. K.*, "A Biophysical Perspective on Enzyme Catalysis"

(2016), Biochemistry, Under Revision.
2016
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Norris, V.; Krylov, S. N.; Agarwal, P. K.; White, G. J., "Synthetic, switchable enzymes"

(2016), J. Mol. Microb. Biotech. Revision Submitted.
2016

Agarwal, P. K.*; Doucet, N., Chennubhotla, C. S.; Ramanathan, A.; Narayanan, C., "Conformational sub-states and populations in enzyme catalysis"

(2016), Invited article. Methods in Enzymology, 578, 273-297.
2016

Gagne, D.; Nhung, T.; Narayanan, C.; Roux, L.; Brunzelle, J. S.; Couture, J.-F.; Agarwal, P. K.; Doucet, N., "Ligand Binding Induces Enhanced Conformational Exchange in Xylanase B2 from Streptomyces lividans"

(2016), Biochemistry, Biochemistry, 55, 4184-4196.
2016

Duff Jr., M. R.; Chopra, S.; Strader, B. D.; Agarwal, P. K.; Howell, E. E., "Tales of Dihydrofolate Binding to R67 Dihydrofolate Reductase"

(2016), Biochemistry, 55, 133-145.
2015

Gange, D.; French, R. L.; Narayanan, C.; Simonovi, M.; Agarwal, P. K.; Doucet, N., "Perturbation of the conformational dynamics of an active-site loop alters enzyme activity"

(2015), Structure, 23 (12), 2256-2266.
2014

Ramanathan, A.; Savol, A.; Burger, V.; Chennubhotla, C. S.*; Agarwal, P. K.*, "Protein Conformational Populations and Functionally Relevant Sub-states",

Accounts of Chemical Research (2014), 47(1) , 149-156.
2013

Agarwal, P. K.*; Hampton S. S.; Poznanovic, J.; Ramanathan, A.; Alam, S. R; Crozier, P. S., "Performance modeling of microsecond scale biological molecular dynamics simulations on heterogeneous architectures",

Concurrency and Computation: Practice and Experience (2013). 25 (10) 1356-75.
2013

Agarwal, P. K.*, "Role of Protein Motions in Function",

Physics of Life Reviews (2013), 10 (1), 35-36.
2012
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Ramanathan, A.; Savol, A.; Burger, V.; Quinn S.; Agarwal, P. K.; Chennubhotla, C., "Statistical Inference for Big Data Problems in Molecular Biophysics",

In Proceedings of Big Learning 2012
2012

Ramanathan, A.; Savol, A. J.; Agarwal, P. K.; Chennubhotla, C. S., "Event Detection And Sub-state Discovery From Bio-molecular Simulations Using Higher-Order Statistics: Application To Enzyme Adynelate Kinase",

Proteins: Structure, Function and Bioinformatics, (2012), 80 (11), 2536.2551.
2012

Heredia, A.; Meunier, V.; Bdikin, I. K.; Gracio, J.; Balke, N.; Jesse, S.; Tselev, A.; Agarwal, P. K. ; Sumpter, B. G.; Kalinin, S. V.; Kholkin, A. L., "Nanoscale Ferroelectricity in Crystalline gamma-Glycine"

Advanced Functional Materials (2012), 22, 2996-3003.
2012
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Agarwal, P. K.*; Schultz, C.; Kalivreteno, A.; Ghosh, B.; Sheldon, B., "Engineering a hyper-catalytic enzyme by photo-activated conformation modulation",

J. Phys. Chem. Lett. (2012), 3, 1142-1146.
2012

Burger, V. M.; Ramanathan, A. R.; Savol, A. J.; Stanley, C.; Agarwal, P. K.; Chennubhotla, C. S., "Quasi-anharmonic analysis reveals intermediate states in the nuclear co-activator receptor binding domain ensemble".

Pacific Symposium on Biocomputing 2012 (2012).
2011

Ramanathan, A.; Agarwal, P. K.*,"Evolutionarily Conserved Linkage between Enzyme Fold, Flexibility, and Catalysis.",

PLoS Biology (2011), 9(11), e1001193.
2011
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Savol, A. J.; Burger, V. M.; Agarwal, P. K.; Ramanathan, A. R.; Chennubhotla, C. S., "QAARM: Quasi-anharmonic auto-regressive model reveals molecular recognition pathways in ubiquitin".

Bioinformatics (2011), 27(13), i52-i60.
2011

Park, B. H.; Naughton, T. J.; Agarwal, P. K.; Bernholdt, D. E.; Geist, A.; Tippens., J. L., "Realization of User Level Fault Tolerant Policy Management through a Holistic Approach for Fault Correlation",

In the Proceedings of IEEE International Symposium on Policies for Distributed Systems and Networks (POLICY 2011) (2011).
2011

Borreguero, J. M.; He, J.; Meilleur, F.; Weiss, K.; Brown, C. M.; Myles, D. A. A.; Herwig, K. W.; Agarwal, P. K., "Redox-Promoting Protein Motions in Rubredoxin", Journal Cover.

J. Phys. Chem. B. (2011), 115 (28), 8925-8936.
2011

Ramanathan, A.; Savol, A.; Langmead, C. J.; Agarwal, P. K.*; Chennubhotla, C. S.*, "Discovering conformational sub-states relevant to protein function",

PLoS ONE (2011) 6(1): e15827.
2010

Kamath, G.; Howell, E. E.; Agarwal, P. K.*, "The Tail Wagging the Dog: Insights into Catalysis in R67 Dihydrofolate Reductase",

In the Biochemistry (2010) 49, 9078-9088.
2010

Hampton, S. S.; Alam, S. R.; Crozier, P. S.; Agarwal, P. K.*, "Optimal utilization of heterogeneous resources for biomolecular simulations"

In the Proceedings of International Conference for High Performance Computing, Networking, Storage and Analysis (SC' 10), New Orleans, LA (2010). 1-11.
2010

Hampton, S. S.; Agarwal, P. K.*; Alam, S. R.; Crozier, P. S. "Towards microsecond biological molecular dynamics simulations on hybrid processors", Outstanding Paper Award,

Proceedings of International Conference on High Performance Computing and Simulation (2010) 98-107.
2010

Nallamuthu, A.; Smith, M. C.; Hampton, S. S.; Agarwal, P. K.; Alam, S. R., "Energy efficient biomolecular simulations with FPGA-based reconfigurable computing",

Proceedings of the 7th ACM international conference on Computing frontiers (2010) 83-84.
2009

Ramanathan, A.; Agarwal, P. K.*,"Computational identification of slow conformational fluctuations in proteins", Journal Cover,

J. Phys. Chem. B (2009) 113 (52), 16669-16680.
2008

Alam, S. R.; Agarwal, P. K.; Hampton, S. S.; Hong Ong; Vetter, J. S., "Impact of multi-cores on large-scale molecular dynamics simulations",

Proceedings of the IEEE International Symposium on Parallel and Distributed Processing (IPDPS) (2008) 1-7.
2008

Alam, S. R.; Agarwal, P. K.; Hampton, S. S.; Hong Ong, "Experimental Evaluation of Molecular Dynamics Simulations on Multi-core Systems.",

Proceedings of the annual IEEE International Conference on High Performance Computing (HiPC) (2008) 1-11.
2008
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Alam, S. R.; Agarwal, P. K.; Vetter, J. S., "Performance characteristics of biomolecular simulations on high-end systems with multi-core processors",

Parallel Computing (2008) 34, 640-651.
2007

Alam, S. R.; Agarwal, P. K.; Kuehn, J. A., "Performance Evaluation of a Scalable Molecular Dynamics Simulation Framework on a Massively-Parallel System.",

In Proceedings of the 7th IEEE International Conference on Bioinformatics and Bioengineering, BIBE, (2007), 1459-1466.
2007

Alam, S. R.; Agarwal, P. K.; Vetter, J. S.; Smith, M. C., "Throughput Improvement of Molecular Dynamics Simulations Using Reconfigurable Computing.",

Scalable Computing: Practice and Experience (2007), 8(4), 395-410
2007

Alam, S. R.; Agarwal, P. K.;, "On the Path to Enable Multi-scale Biomolecular Simulations on PetaFLOPS Supercomputer with Multi-core Processors",

Proceedings of the IEEE International Workshop on High Performance Computational Biology (HiCOMB 2007), in conjunction with IPDPS, (2007), 1-8
2007
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Agarwal, P. K.*; Alam, S. R.; Geist A, "Simulating Biomolecules on Petascale Supercomputers". Invited book chapter.

Petascale Computing: Algorithms and Applications, Edited by David A. Bader, CRC Press (2007).
2007

Alam, S. R.; Agarwal, P. K.; Smith, M. C.; Vetter, J. S.; Calliga, D. "Using FPGA Devices to Accelerate Biomolecular Simulations",

Cover Feature, IEEE Computers (2007) 40, 66-73.
2006

Agarwal, P. K.*; Alam, S. R., "Biomolecular Simulations on Petascale: Promises and Challenges",

J. Physics Conference Series (2006) 46, 327-333.
2006
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Alam, S. R.*; Agarwal, P. K.*; Vetter, J. S.; Geist A., 'Performance characterization of bio-molecular simulations using molecular dynamics',

Proceedings of the eleventh ACM SIGPLAN symposium on Principles and practice of parallel programming. (2006) 59-68.
2006
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Agarwal, P. K.*, "Enzymes: An integrated view of structure, dynamics and function",

Invited Review Article: Microbial Cell Factories. (2006) 5:2.
2005

Agarwal, P. K.*, "Role of Protein Dynamics in Reaction Rate Enhancement by Enzymes",

J. Am. Chem. Soc. (2005) 127, 15248-15246.
2004

Agarwal, P. K.*; Geist A.; Gorin A.; "Protein Dynamics and Enzymatic Catalysis: Investigating the Peptidyl-Prolyl Cis-Trans Isomerization Activity of Cyclophilin A",

Biochemistry (2004) 43, 10605-10618.
2004

Agarwal, P. K.*; "Computational studies of the mechanism of cis/trans isomerization in HIV-1 catalyzed by cyclophilin A",

Proteins: Struct. Funct. Bioinformatics (2004) 56, 449-463.
2003

Watney, J. B.; Agarwal, P. K.; Hammes-Schiffer, S.; "Effect of mutation on enzyme motion in dihydrofolate reductase",

J. Am. Chem. Soc. (2003) 125, 3745-3750.
2003

Agarwal, P.K.; Billeter, S.R.; Hammes-Schiffer, S. "Nuclear quantum effects and enzyme dynamics in dihydrofolate reductase catalysis",

J. Phys. Chem. B (2002) 106, 3283-3293.
2002

Agarwal, P.K.; Billeter, S.R.; Rajagopalan, P.T.R.; Benkovic, S.J.; Hammes-Schiffer, S. "Network of Coupled Promoting Motions in Enzyme Catalysis", Proc. Natl. Acad. Sci. USA

(2002) 99, 2794-2799.
2001

Billeter, S.R.; Webb, S.P.; Agarwal, P.K.; Iordanov, T.; Hammes-Schiffer, S. "Hydride Transfer in Liver Alcohol Dehydrogenase: Quantum Dynamics, Kinetic Isotope Effects, and the Role of Enzyme Motion",

J. Am. Chem. Soc. (2001) 123, 11262-11272.
2001

Billeter, S.R.; Webb, S.P.; Iordanov, T.; Agarwal, P.K.; Hammes-Schiffer, S. "Hybrid Approach for Including Electronic and Nuclear Quantum Effects in Molecular Dynamics Simulations of

Hydrogen Transfer Reactions in Enzymes", J. Chem. Phys. (2001) 114, 6925-6936.
2000

Webb, S.P.; Agarwal, P.K.; Hammes-Schiffer, S. "Combining Electronic Structure Methods with Calculation of Hydrogen Vibrational Wavefunctions: Application to Hydride Transfer

Catalyzed by Liver Alcohol Dehydrogenase", J. Phys. Chem. B (2000) 104, 8884-8894.
2000

Agarwal, P.K.; Webb, S.P.; Hammes-Schiffer, S.

"Computational Studies of the Mechanism for Proton and Hydride Transfer in Liver Alcohol Dehydrogenase", J. Am. Chem. Soc. (2000) 122, 4803-4812.
1999

Agarwal P.K.; Bhattacharya S.K., "Construction of a multi RE module:

Exploitation of mechano-chemistry of restriction endonucleases", Biotechnology & Bioengineering (1999) 65, 233-239.
2005

Protein Dynamics and Function:

PITAC Report to the President of United States on Computational Science: Ensuring America's Competitiveness (June 2005), page 83.
2004

Vibrations may be Key to Protein Functions:

DOE Advanced Scientific Computing Research FY 2004 Accomplishment.
2004
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Evaluation of the SGI Altix 3700 at Oak Ridge National Laboratory.

2004
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Cray X1 Evaluation Status Report,

Proceedings of the 46th Cray User Group Conference, Knoxville TN, May 17-20, 2004.
2015
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Identification and Modification of Dynamically Active Protein Residues (Divisional),

Inventor: Pratul K. Agarwal, US Patent # 9,195,795, Issued 11/24/2015.
2013

Identification and Modification of Dynamically Active Protein Residues,

Inventor: Pratul K. Agarwal, US Patent # 8,417,461, Issued 04/09/2013.
2011

Fast computational methods for mechanism of protein folding and prediction of protein structure from primary sequence,

P Inventor: Pratul K. Agarwal, US Patent # 7,983,887, Issued 07/19/2011.
  • 1. Invited Seminar: University of Tennessee (Genome Science and Technology program seminar), Knoxville TN, Jan. 18th, 2006, Enzymes: An integrated view of structure, dynamics and function.
  • 2. Invited Seminar: NIST (Physics Division Seminar) Gaithersburg MD, April 18th, 2006, Protein Vibrations Promoting Enzyme Catalysis.
  • 3. University of Minnesota (Supercomputing Institute and Department of Chemistry seminar), Minneapolis MN, May 31st and Jun. 2nd 2006, Protein Vibrations Promoting Enzyme Catalysis.
  • 4. Invited Seminar: IBM Inc., Rochester MN, Jun 1st 2006, Next generation simulations in biology.
  • 5. Invited Talk: NanoFocUL workshop, ORNL, Oak Ridge TN, Aug. 29th 2006, Multi-scale modeling of enzymes.
  • 6. Invited Seminar: Vanderbilt University, (Dept. Chemical Engineering seminar), Nashville, TN, Sep. 4th 2006, Multi-scale modeling of enzyme catalysis.
  • 7. Workshop on the Future of BioMolecular Simulations: From Ab Initio to Nano-molecular Machine, Oak Ridge TN, Dec. 11th 2006, Biomolecular Simulations on Petascale: Promises and challenges.
  • 8. Invited Seminar.University of Cincinnati, Cincinnati, OH, 15th March 2007, Protein vibrations promote enzyme catalysis: An integrated view of enzyme structure, dynamics and function.
  • 9. CERMACS 2007 (ACS regional meeting), Covington KY, 23rd May 2007, Evolution of enzyme fold: Role of protein dynamics in enzyme catalysis.
  • 10. VII European Symposium of the Protein Society, Stockholm (Sweden), 15th May 2007, Protein vibrations promote enzyme catalysis: An integrated view of enzyme structure, dynamics and function.
  • 11. Argonne National Laboratory, Argonne, IL, 30th Aug. 2007, Towards A Fault Tolerant Molecular Dynamics Application.
  • 12. Invited Seminar: Carnegie Mellon University, Pittsburgh, PA, 17th September, 2007, Evolutionary linkage between enzyme structure, dynamics and function.
  • 13. Invited Seminar: HPC user's forum, Santa Fe 27th Sept. 2007, Biomolecular Simulations with HPC: Implications for Bio-ethanol.
  • 14. DOE BER, Germantown MD, Dec 17th 2007, Multi-scale Modeling of Enzymes: Implications of low cost ethanol.
  • 15. Protein Dynamics Workshop, Tarrytown NY, May 2nd 2008, Evolution of Enzyme Fold: Linking Protein Dynamics and Catalysis.
  • 16. Workshop in Trend, Technologies and Collaborative Opportunities (WTTC) 2008, Bangkok Thailand, June 9th 2008, High Performance Simulations in Biology: Implications for Health, Energy and Environment.
  • 17. Workshop in Trend, Technologies and Collaborative Opportunities (WTTC) 2008, Phuket Thailand, June 11th 2008, High Performance Simulations in Biology: Implications for Health, Energy and Environment.
  • 18. 236th Annual Meeting of the American Chemical Society, Philadelphia PA, August 19th 2008, An Integrated View of Enzyme Structure, Dynamics and Function.
  • 19. 236th Annual Meeting of the American Chemical Society, Philadelphia PA, August 20th 2008, Evolution of Enzyme Fold: Linking Protein Dynamics and Catalysis
  • 20. Invited Seminar: St. Jude Children's Research Hospital, Memphis, TN, November 25th, 2008, Evolution of enzyme fold: Linking protein dynamics and catalysis.
  • 21. Biophysical Society 53rd Annual Meeting, Boston, MA, March 3rd, 2009, Evolution of enzyme fold: Linking protein dynamics and catalysis.
  • 22. ACS 238th National Meeting, Washington, DC, August 17, 2009, Linking enzyme structure, dynamics, and catalysis.
  • 23. LAMMPS Users Workshop, Sandia National Laboratories, Albuquerque, NM, Feb 26th 2010, GPU-enabled biomolecular simulations with LAMMPS.
  • 24. Outstanding Paper Award: International Conference on High Performance Computing and Simulation (HPCS) 2010, Caen, France, July 1st 2010, Towards Microsecond Biological Molecular Dynamics Simulations on Hybrid Processors.
  • 25. University of Tennessee, Knoxville, Department of Biochemistry, Cellular and Molecular Biology (BCMB) Retreat, Knoxville, 20th August 2010, The Tail Wagging the Dog: Insights into Catalysis in R67 Dihydrofolate Reductase.
  • 26. American Chemical Society 240th National Meeting, Boston, MA, August 22nd 2010, Biomolecular simulations in heterogeneous computing architectures.
  • 27. Workshop on force field development, CNMS, ORNL, Oak Ridge, TN, Sept. 15th 2010, Linking Protein Flexibility to Enzyme Catalysis.
  • 28. Bio-molecular Simulations on Future Computing Architectures, ORNL, Oak Ridge, TN, Sept. 15th 2010, Optimal biomolecular simulations on future computing architectures.
  • 29. SC10, Intl. Conf. for High Performance Computing, Networking, Storage and Analysis, New Orleans, LA., November 14th 2010, Molecular Biophysics in Cloud: Promises and Challenges.
  • 30. SC10, Intl. Conf. for High Performance Computing, Networking, Storage and Analysis, New Orleans, LA., November 18th 2010, Optimal utilization of heterogeneous resources for biomolecular simulations.
  • 31. Zing Conference on Biocatalysis, Puerto Morelos, Mexico, December 11th 2010, Evolutionary Conserved Linkage Between Enzyme Fold, Flexibility, and Catalysis.
  • 32. ACS 241st National Meeting, Anaheim, CA, March 31, 2011, Non-homologous enzymes catalyzing same chemistry: Insights into linkage between enzyme fold, flexibility and catalysis
  • 33. Workshop on Biocatalysis, Denver, CO, May 26th, 2011, Computational Bio-catalysis for Renewable Energy and Environmental Research
  • 34. Titan Summit, Oak Ridge, TN, August 17th, 2011, Next Generation Simulations of Bio-molecules
  • 35. Zing Conference on Enzymes, Coenzymes and Metabolic Pathways, Xcaret, Mexico, November 20th 2011, Role of enzyme dynamics: Engineering hyper-catalytic enzymes by conformation modulation.
  • 36. Next-Gen Kinase Inhibitors, Boston, MA, June 5th 2012, Discovering and characterizing allosteric sites for novel drug design.
  • 37. Best Poster Award: GRC Medicinal Chemistry, New London, NH, August 9th 2012, Discovering and characterizing allosteric sites for novel drug design.
  • 38. ACS 244th National Meeting, Philadelphia, PA, August 19 2012, Learning from and manipulating enzymes for better catalysis.
  • 39. ACS 244th National Meeting, Philadelphia, PA, August 19 2012, Unraveling the mystery of solvent-protein thermodynamical coupling: Insights from enzyme catalysis in organic solvents.
  • 40. ACS 244th National Meeting, Philadelphia, PA, August 20 2012, Engineering hyper-catalytic enzyme by photo-activated conformation modulation.
  • 41. Invited Seminar: BiG Seminar Series, University of North Carolina, Charlotte, September 21 2012, Using Computations to Understand and Manipulate the Working of Biomolecules .
  • 42. Drug Design 2012 Conference, Oxford, United Kingdom, September 28th, 2012, Discovering and Characterizing Allosteric Sites for Novel Drug Design.
  • 43. Invited Talk: 10th Discovery on Target, Allosteric Modulators Series, Boston MA, October 3rd, 2012. Biophysical Approach to Allosteric Site Discovery and Characterization of Kinases.
  • 44. Invited Talk: Novartis Institutes for BioMedical Research, Cambridge MA, October 4th, 2012. Biophysical Approach to Allosteric Site Discovery and Characterization of Kinases.
  • 45. Invited Talk: Zing Conference on Mathematical and Computational Medicine, Xcaret, Mexico, December 4th 2012, Biophysical Approach to Allosteric Site Discovery and Characterization of Kinases.
  • 46. Zing Conference on Biocatalysis, Xcaret, Mexico, December 6th 2012, Engineering Hyper-catalytic Enzymes through Conformation Modulation.
  • 47. Invited Speaker: 13th Annual Symposium of PROTEO, the Quebec Network for Research on Protein Structure, Function and Engineering. Montreal, Canada, May 17th 2013. Protein Dynamics and Conformational Sub-states in Enzyme Catalysis.
  • 48.Invited Speaker: 2nd Conference on Dynamics in Enzymatic Catalysis, Telluride, CO, July 29th-August 2nd, 2013. Conformational sub-states and Conformational Modulation in Enzyme Catalysis.
  • 49. Invited Speaker: Modeling and Computational Design Symposium, Society for Industrial Microbiology and Biotechnology (SIMB) Conference 2013, San Diego, CA, August 11-15th 2013. Engineering Hyper-catalytic Enzymes through Conformational Modulation.
  • 50. Invited Speaker: CBE Graduate Seminar, University of Tennessee, January 23, 2014. A Biophysical Model of Enzyme Catalysis: Applications for Rational Biomolecular Design.
  • 51. Invited Speaker: Northeastern University, January 28, 2014. Understanding and Manipulating How Enzymes Work.
  • 52. Invited Speaker: University of Massachusetts Lovell, April 29, 2014. The Fascinating World of Enzymes.
  • 53. Invited Speaker: Biology and Soft Matter Division Seminar, Spallation Neutron Source Directorate, ORNL, June 12, 2014. Protein Dynamics and Conformational Sub-states in Enzyme Catalysis.
  • 54. Invited Talk: Workshop on Intrinsically Disordered Proteins, July 16, 2014. Protein Dynamics and Conformational Sub-states in Enzyme Catalysis.
  • 55. Invited Seminar: Janssen Pharmaceuticals, October 13, 2014. Discovering and Characterizing Allosteric Sites for Novel Drug Design.
  • 56. Invited Seminar: University of Montreal, Montreal, Canada, November 6, 2014. Conformational Diversity and its Role in Enzyme Catalysis.
  • 57. Invited Talk: Worskshop on Frontiers in Data, Modeling, and Simulation, Argonne National Laboratory, March 31, 2015. Neutrons, Simulations and Models in Biology.
  • 58. Invited Seminar: Department of Computational & Systems Biology, School of Medicine, University of Pittsburgh, May 12, 2015. Conformational sub-states and allosteric modulation in drug discovery.
  • 59. Invited Talk: 3rd Conference on Role of Protein Dynamics in Enzyme Catalysis, Telluride, CO, August 3-7, 2015. Role of conformational sub-states and solvent in enzyme catalysis.
  • 60. Invited Talk: Engineering Conference, St. Petersburg, FL, September 9, 2015. Hyper-catalytic Enzymes using Conformational Modulation.
  • 61. Invited Seminar: Department of Physics, University of South Florida, Tampa, FL, February 16, 2016. Department of Physics, University of South Florida, Tampa, FL, February 16, 2016.
  • 62. Invited Seminar: Department of Toxicology, Oklahoma State University, Stillwater, OK, March 3, 2016. Enzymes as Biophysical Machines: Applications for Engineering and Drug Discovery.
  • 63. Invited Seminar: Institute of Applied Life Sciences, University of Massachusetts, Amherst, MA, April 7, 2016. Enzyme Catalysis: Following nature.s footsteps for designing better enzymes and novel allosteric modulators.
  • 64. Invited Talk: College of Chemistry, University of California, Berkeley, CA, April 25, 2016. Enzymes as Biophysical Machines: Designing Faster and Better Biocatalysts.