Who's Who at the Laufer Center

Core Faculty
 Photo of Ivet

Director

Ivet Bahar is interested in discovering the basic principles that govern the machinery of biomolecules in the cell, including their communication and allosteric interactions, which in turn enable their cellular actions. Her lab uses a combination of physics-based models and theories, engineering methods, and machine learning algorithms to bridge molecular structure/dynamics and cell/systems behavior, and to design efficient intervention strategies to modulate function. Ivet is Louis and Beatrice Laufer Endowed Chair of Physical and Quantitative Biology, and Professor of Biochemistry and Cell Biology at Stony Brook. (Citations)
photo of carlos simmerling

Associate Director

Carlos Simmerling develops new algorithms and energy functions using state-of-the-art computers for accurate and efficient simulation of large systems of biomolecules. He also applies these methods to systems where conformational dynamics are important for function, such as slow ligand binding and DNA recognition and repair. Carlos is Marsha Laufer Endowed Professor of Physical and Quantitative Biology, and Professor of Chemistry at Stony Brook. (Citations)
GaborPhoto Gábor Balázsi designs synthetic gene circuits to precisely control gene expression in microbes and mammalian cells, and to study emergent cell population-level behaviors such as diversification, formation of multicellular structures, survival during drug treatment or other stressful conditions, and evolution. We develop mathematical models to identify key mechanisms that connect gene networks to their population-level effects, hoping to understand control across scales in biology. Gábor is Henry Laufer Endowed Professor of Physical and Quantitative Biology, and Professor of Biomedical Engineering at Stony Brook. (Citations)
photo of ken dill

Ken A. Dill  is interested in the physics of how proteins fold; the microscopic origins of the unusual physical properties of water; the foundations and applications of variational entropy-based principles in statistical physics; and how the laws of physics constrain and enable the biological properties and evolution of cells. Ken is the Laufer Family Endowed Chair of Physical and Quantitative Biology, and Distinguished Professor of PhysicsChemistry and Applied Math at Stony Brook. He is the former and founding director (2010-2022) of the Center, and was formerly the Louis and Beatrice Laufer Endowed Chair of Physical and Quantitative Biology (Video, Citations)

EugenePhoto Eugene Serebryany is interested in the biophysics of protein misfolding in vivo and mechanisms of misfolding-associated diseases, discovery and pharmacological targeting of physiologically relevant non-native protein conformations, and protein engineering in currently inaccessible environments. To enable these lines of research, he develops new experimental methods at the interface of molecular biophysics and chemical biology and closely collaborates with computational biophysicists for computational-experimental integration. Eugene is an Assistant Professor of Physiology and Biophysics at Stony Brook.(Citations)
Affiliated Resident Faculty
photo of dima Dima Kozakov research interests lie at the intersection of applied mathematics, physics and computational biology. He focuses on two main goals. The first is the development of mathematically elegant, computationally efficient and physically accurate algorithms for modeling macromolecular structure and function on the genome scale. The second is the application of novel methods to improving the understanding of biological problems and to the design of therapeutic molecules with desired biological and biomedical properties. Dima is a Professor in the Department of Applied Mathematics and Statistics at Stony Brook. (Citations)
Lily Lilianne R. Mujica-Parodi is Director of the Laboratory for Computational Neurodiagnostics (LCNeuro). LCNeuro's research focuses on the application of control systems engineering and dynamical systems to human neuroimaging data(fMRI, MEG, EEG, NIRS, ECOG), with neurodiagnostic applications to neurological (dementia, epilepsy) and psychiatric (anxiety, depression, addiction, schizophrenia) disorders. Parallel development of instrumentation complements their analytical approaches by optimizing brain time series for dynamic fidelity. Lily is Professor of Biomedical Engineering at Stony Brook University. (Citations)
vageli Evangelos Coutsias' research has focused on the modeling of nonlinear systems and continua, using techniques of applied mathematics on problems motivated from applied physics, engineering and biology. These include asymptotics and perturbation methods for the study of stability and bifurcation phenomena in plasma physics, biology and fluid mechanics; high accuracy numerical spectral methods for solving PDEs arising in continuum mechanics; and robust numerical methods for systems of multivariate polynomials for the solution of problems of inverse kinematics arising in molecular structure studies. His present work is on the development of computational methods for the study of protein structure, especially on the kinematic geometry of protein backbones subject to constraints. Current interests focus on the refinement of protein structure and the development of computational geometric methods for the efficient exploration of macromolecular shapespaces with application to protein design and drug discovery. Vageli is a Professor in the Department of Applied Mathematics and Statistics at Stony Brook. (Citations)
Affiliated Faculty
photo of Eric Brouzes Eric Brouzes is interested in understanding cellular heterogeneity and its role in healthy and diseased tissues, such as cancer. To achieve this goal, his lab focuses on developing novel microfluidic approaches to perform quantitative, functional and genomic measurements at single-cell resolution. Those platforms rely both on droplet and single-phase microfluidic technologies to enable the manipulation and processing of single-cells at low and high-throughput. Eric is an Assistant Professor of Biomedical Engineering. (Citations)
photo of Bruce Futcher Bruce Futcher researches the logic and control of cell growth and cell division circuitry, a problem that is related to the uncontrolled growth of cancer cells. In collaboration with Eckard Wimmer, Steffen Mueller and Steve Skiena, he is developing methods for creating weak synthetic viruses, which may be useful in therapies as well as biological research. Bruce is a Professor of Microbiology & Immunology at Stony Brook. (Citations)
photo of david green David Green is studying signaling in the G-protein pathway, to understand the specificity of protein-protein interactions; and how the HIV-1 virus recognizes its target cells, to learn how glycosylation modulates protein interactions. David is an Associate Professor of Applied Mathematics and Statistics at Stony Brook. (Citations)
Peter Koo Peter Koo studies the functional impact of genomic mutations through a computational lens using data-driven artificial intelligence solutions. We are broadly interested in applications for studying gene regulation and protein (dys)function. Our approach develops methods to interpret high-performing deep learning models to distill knowledge that they learn from big, noisy biological sequence data. Our goal is to elucidate biological mechanisms that underlie sequence-function relationships, with a broader aim of advancing precision medicine for complex diseases, including cancer. Peter is an Assistant Professor at the Simons Center for Quantitative Biology at Cold Spring Harbor Laboratory. (Citations)
Dan Raleigh Dan Raleigh studies protein folding, protein structure and the mechanism of amyloid formation to understand how proteins fold to their final three dimensional structure and to understand why the folded conformation of proteins is stable. The work on amyloid formation is directed towards understanding the physical basis for the pathological aggregation of polypeptides in certain diseases. These projects involve a wide range of techniques, including but not limited to: high resolution multidimensional NMR, protein design, stop flow methods, peptide synthesis and protein chemistry. Dan is a Professor of Chemistry at SBU. (Citations)
photo of joshua rest

Joshua Rest investigates the extent that changes in the expression of genes result in changes in the fitness of cells. He is examining the fitness costs for expressing certain genes at the same time, and the persistence of variations caused by genetic mutations. Joshua is an Associate Professor of Ecology and Evolution at Stony Brook. (Click here to watch my video, Citations)

photo of robert rizzo Robert Rizzo For efficient and effective drug design, the Rizzo group develops and applies computational algorithms and protocols in atomic-level modeling of how drugs bind to proteins. Rob is a Professor in the Department of Applied Mathematics and Statistics at Stony Brook. (Citations)
jessica Jessica Seeliger studies cell envelope processes in pathogenic mycobacteria, especially processes that contribute to the formation and remodelling of the lipid membranes. Related topics include the discovery and characterization of small molecules that modulate activity in these pathways and the relationships between lipid membrane biogenesis, cellular heterogeneity, antibiotic resistance..  Jessica is Associate Professor of Pharmacological Sciences at the Renaissance School of Medicine at Stony Brook. (Citations)
Photo of Markus Seeliger Markus Seeliger works to understand the molecular mechanisms of signaling proteins, and how small molecule ligands and drugs can modulate their activity. Markus is an Associate Professor of Pharmacological Sciences at the Renaissance School of Medicine at Stony Brook. (Click here to watch my video, Citations)
steve2 Steve Skiena designs combinatorial algorithms for biology, particularly for analyzing the sequences and assembly of biological molecules and for designing synthetic genes. Steve is a Distinguished Teaching Professor of Computer Science and Director of Institute for AI-Driven Discovery and Innovation at Stony Brook. (Click here to watch my video, Citations)
photo ofHelmu Strey Helmut Strey is interested in the dynamics of biomacromolecules (DNA, proteins, polysaccharides) and their interaction. His lab is developing biotechnologies using micro- and nanofabrication to create novel methods to answer questions in quantitative biology and medicine. Specifically, he is developing microfluidics for single-cell genomics and is designing nanofluidic devices to measure single-molecule interaction using fluorescence techniques. Helmut is an Associate Professor in Biomedical Engineering at Stony Brook University. (Citations)
photo of jin wang Jin Wang studies the physics and chemistry of biomolecules and networks with a focus on the mechanisms of protein folding, biomolecular recognition and biological networks. He uses modern statistical mechanics, simulations, and empirical information from databases to study the detailed processes involved. Jin is a Professor of Chemistry and Physics at Stony Brook. (Citations)
TroyPhoto Troy Wymore investigates the functional plasticity of enzymes using both molecular phylogenetics/ancestral sequence reconstruction and atomistic simulations with a focus on Quantum Mechanical/Molecular Mechanical (QM/MM) methods in order to understand enzymatic mechanisms at the electronic structure level. Troy is Research Associate Professor of the Laufer Center.
DavuluriRamana Ramana Davuluri. Ramana is a Professor of Biomedical Informatics at Stony Brook. (Citations)

Senior Postdoctoral Associates

  
rafal Rafał Krzysztoń. I am interested in single-cell responses to internal and external signals and in emerging mechanisms governing collective cell behavior. In my endeavors, I use methods of synthetic and quantitative biology (i.e. controlled microenvironments, synthetic gene networks, microfluidics, nanomaterials and quantitative microscopy), complementing standard biological assays. Together with Prof. Dr. Balázsi, we develop gene regulation systems allowing to explore and control cancer metastasis and to counteract viral infection. By monitoring the single-cell expression of disease-related genes and correlating it with phenotype profiles (e.g. cell motility) we aim to gain quantitative insights into emergence and dynamics of those complex pathologies. (Balázsi lab)
anupam Anupam Banerjee. I work on the integration of Elastic Network Models (ENMs) into various biological systems, aiming to provide a more comprehensive understanding of the intricate relationship between the structural characteristics and functional properties of biomolecules. My research interests primarily revolve around the advancement of protein engineering frameworks, designed to measure and assess the consequences of diverse modifications on a protein's structural dynamics and functional attributes. Through an interdisciplinary approach, I contribute to shedding light on critical biological mechanisms, aiding in the development of novel therapeutic strategies and a deeper understanding of complex disease processes. (Bahar lab)

Postdoctoral Associates

  
sridip Sridip Parui. The broad area of my research is the prediction of structures of biomolecules and the underlying pathways such as protein folding and conformational transitions. Knowing the three-dimensional structure and the related pathways is important for understanding biomolecular function. I believe MELD, which efficiently integrates external information with physics-based modeling, can serve these purposes. (Dill lab)
rostam Rostam Razban applies tools from statistical mechanics to elucidate underlying forces in biological phenomena, such as “Why do proteins evolve differently?”, “What causes cells to age?” and “How do brain networks transition?” Emphasis is placed on developing biophysical models for which mathematical equations with experimentally measured parameters can be derived. (Dill lab | Bahar lab | Mujica-Parodi lab)
Lakshmanji Verma. I am interested in molecular-level motions of chemical, physical, and biophysical systems in solvents which manifest interesting microscopic phenomena such as phase separation, aggregation, and nucleation that eventually dictate macroscopic behaviors. My current work focuses on the development of a statistical mechanical water model which will significantly reduce the time and computational cost required to simulate complex phenomena (e.g. protein-ligand complexation dynamics). (Dill lab)
ying jen yang2 Ying-Jen Yang. Thermodynamic/energetic principles can be formulated for stochastic dynamical models of complex systems. These principles include fluctuation-dissipation relations, the landscape theory in stochastic thermodynamics, and the statistical thermodynamics of entropic forces. They are formulated purely from time symmetries and the limit theorems of stochastic models in the ideal data infinitus limit and are thus universal. I am generally interested in developing these theories and applying them to solve problems in cellular biology, neuroscience, and evolution biology. (Dill lab)
anthony Anthony Bogetti. I am interested in developing methods for more efficient molecular dynamics simulations that enable more ambitious applications. During my PhD at the University of Pittsburgh in the lab of Lillian Chong, I worked on the weighted ensemble method, which uses splitting and merging to achieve more efficient sampling. I was a core developer of the WESTPA software package for weighted ensemble simulations. As a postdoc jointly in the labs of Ken Dill and Ivet Bahar, I am now interested in how the MELD sampling strategy, possibly combined with ENM methods, can further enhance molecular dynamics simulations and enable even more ambitious applications. (Dill lab | Bahar lab)
xiaoweibogetti2 Xiaowei Bogetti. I attained my PhD in the lab of Sunil Saxena at the University of Pittsburgh, where I worked on electron paramagnetic resonance spectroscopy and molecular dynamics simulations. As a postdoctoral researcher in the lab of Ivet Bahar, I am interested in integrating experimental data into computational modeling to achieve a more complete understanding of protein dynamics and interactions. (Bahar lab)
Xin photo Laufer Xin Cao. I am interested in the development of geometric methods to study the structure-function relationship of molecules. By using geometry methods, we have developed a robust numerical algorithm for the solutions of inverse kinematics problems arising in molecular structure studies, and a numerical method to compute the molecular surface areas and volumes which are playing significant roles in the solvation of molecules. My current work focuses on the applications of the methods to the quantitative evaluation of molecular interactions and to the efficient exploration of molecular shape spaces, such as macrocycles, loop regions in proteins, and RNAs. (Coutsias lab)
Yiming Wan Yiming WanI have a deep-seated interest in the confluence of synthetic biology and cancer biology. My ambition is to seamlessly intertwine these two domains, aiming to produce groundbreaking, quantitative insights into phenotypic landscapes in cancer models. While pursuing my PhD at Stony Brook University under the expert guidance of Dr. Gabor Balázsi, our team harnessed these synthetic biological tools to forge a novel quantitative understanding of a pivotal cancer metastasis regulator, BACH1. Our discoveries revealed that BACH1 regulates cancer invasion in a non-monotonic fashion while consistently inhibiting cell proliferation. As I transition into my postdoctoral role in the Balázsi lab, my vision is to craft cutting-edge, multi-functional cellular platforms. These platforms, boasting expanded dimensions and capabilities, will be instrumental in delving deeper into the quantitative nuances of cancer models and serve as the foundation for safe and efficacious therapeutic interventions. (Balázsi lab)

Senior Research Scientists

  
marycheng Mary Hongying Cheng. I have extensive background in developing, implementing and applying multi-scale computational methods and tools for molecular dynamics simulations, elastic network modeling, and kinetic modeling. Additionally, I am experienced in druggability simulations and docking simulations, pharmacology modeling and virtual screening, and quantitative systems pharmacology modeling. My research areas include i) protein function and dynamics; ii) modulation of protein function by regulatory proteins, drugs, and membrane lipids; iii) computer- aided drug discovery; iv) assembly/clustering of protein complexes and multimers; v) protein glycosylation and ubiquitination; and vi) ion permeation characteristics and charge selectivity in receptor channels. I have more than 20 years’ experience in modeling and simulating a wide range of biological proteins, including neurotransmitter transporters, G protein coupled receptors (GPCRs), voltage- and ligand-gated ion channels, and kinases, as well as their interactions with drugs, psychostimulants or antidepressants, lipids, and regulatory proteins. (Bahar lab)

Research Scientists

  
JiYoung JiYoung Lee. My major area is computational pharmacology, computer-aided drug discovery and development, simulations of protein-protein and protein-ligand interactions applied to membrane proteins. I have been working on allosteric modulation, activation and desensitization of membrane proteins and the development of the interface Pharmmaker for pharmacophore modeling coupled to druggability simulations using DruGUI. (Bahar lab)

Laufer Junior Fellows

  
D Padhorny Dzmitry Padhorny. I work on novel approaches on modeling the biomolecular interactome across the scales, from improving the methodology for modeling the basic binary protein complex to analysis of whole-cell protein/metabolite interactions networks. Currently focused on pushing the limits on the size of the systems we can meaningfully simulate. (Kozakov lab)

Former Members

NameAffiliation
Mike Schatz formerly CSHL, now Johns Hopkins University
Sergei Maslov formerly BNL, now U Illinois
Bill Studier, Emeritus formerly BNL
Rob Patro Formerly Department of Computer Science at Stony Brook University, now at University of Maryland

Staff

Nancy Rohring

Administrative Director

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631-632-5400

Nancy earned her AAS degree in Business Administration at SCCC, B.S. at SBU in Management and Policy, and MS in Secondary Education from Dowling College. She joined Laufer Center in 2012 under Ken Dill's directorship after seven years as Department Administrator in the Mathematics Dept. Nancy manages the Center's financial and personnel matters, and its overall operations.

Samantha Barry

Administrative Assistant to the Director

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631-632-5399

Samantha (B.S. in Business Management and MBA, Stony Brook University) joined the Laufer Center in August 2023 and serves as the Administrative Assistant to the Director, Ivet Bahar. She provides administrative support to the Director, assists with research awards, and coordinates seminars and other events for the Center.

Feng Zhang

Senior Programmer/Analyst

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631-632-5406

Feng joined the Laufer Center in 2012 and manages the Center's HPC computer cluster along with other computer-related support.

Doug Death

Douglas Death

Business and Grants Manager

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631-632-5411

Douglas joined the Laufer Center in December 2023. He came to the center from Suffolk County Government where he served as the program manager for the STOP-DWI program. Douglas focuses on the management, administration and distribution of Laufer Center grants as well as other tasks related to the business and finance administration of the Center.

Former Laufer Fellows & Postdocs

 

Name Affiliation Supervisor
 

Gregory Dignon

2019-2022

 Assistant Professor, Rutgers, The State University of New Jersey Ken Dill 
 

Bhanita Sharma

2018-2022

  Ken Dill 
 

Emiliano Brini

2013-2021

 Assistant Professor, Rochester Institute of Technology Ken Dill 

Jason Wagoner

2014-2021

  Ken Dill

Luca Agozzino

2020 - 2021

Computational Biology Developer at Ribbon Biolabs, Vienna, Austria  Ken Dill 

Tamás Székely

2016 - 2019

  Gábor Balázsi

Harold Bien

2016 - 2019

  Gábor Balázsi

James Robertson

2016 - 2019

Research Scientist in Computational Chemistry, Philadelphia area Ken Dill

Daniel Charlebois

2014 - 2019

Assistant Professor of Biophysics, Department of Physics, University of Alberta Gábor Balázsi

Mantu Santra

2013 - 2018

Assistant Professor, School of Chemical and Biological Sciences, Indian Institute of Technology, Goa GEC Campus, Farmagudi, Ponda, Goa - 403401, India Ken Dill

Angela Migues

2015 - 2018

Assistant Professor at SUNY Oneonta Carlos Simmerling

Alberto Perez

2010 - 2018

Assistant Professor, University of Florida Ken Dill

Adam de Graff

2012 - 2018

Senior Research Scientist at Methuselah Health UK Ltd, Cambridge, United Kingdom Ken Dill

Lane Votapka

2016 - 2017

Assistant Professor of Chemistry, Point Lorma Nazarene U Ken Dill

Jamie Blundell

2014-2016

Lead Investigator, Early Detection Programme, Department of Oncology, Cambridge Sasha Levy

Joseph Morrone

2014-2016

Researcher, IBM, Thomas J. Watson Research Center, NY Ken Dill

Arijit Maitra

2011 - 2014

Assistant Professor, BML Munjal University, India Ken Dill

Arijit Roy

2011 - 2014

Scientist, TCS Innovation Labs, India Ken Dill

Justin MacCallum

2010 - 2014

Assistant Professor, University of Calgary Ken Dill

Libo Li

2011 - 2014

Professor, South China Univ. of Technology, Guangzhou, China Ken Dill

Christopher Fennell

2010 - 2013

Assistant Professor, Chemistry Dept., Oklahoma State University, Stillwater, OK Ken Dill

Daniel Farrell

2011 - 2013

Data Scientist at Facebook Ken Dill

Jack Peterson

2012

Co-founder and Lead Front-End Designer at Augur Ken Dill

Former Students

Name Affiliation Supervisor

Luca Agozzino

2015 - 2020

Computational Biology Developer at Ribbon Biolabs, Vienna, Austria Ken Dill

Mariola Szenk

2012 - 2019

Translational Partnerships Lead at nference AI, Boston Gabor Balazsi and Ken Dill

Michael Hazoglou

2012 - 2017

Postdocoral Associate with Todd Hylton, Contextual Robotics Institute, UC San Diego Ken Dill

Eliza Guseva

2012 - 2016

Data Scientist, Gartner Inc., Stamford, CT Ken Dill

Kevin Hauser

2011 - 2016

Postdoctoral Researcher, Schrödinger LLC Carlos Simmerling

Merzu Belete

2014 - 2016

 

Postdoc Fellow, Center for Systems and Computational Biology and Rutgers Cancer Institute, Rutgers, U. Gabor Balazsi

James Maier

2010 - 2015

Data Scientist, ViaSat Inc. Carlos Simmerling

Haoquan Li

2010 - 2015

Software Engineer, Amazon Web Services Inc. Carlos Simmerling

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