Former group members

Graduates, Undergraduates, and Postdocs

orlando.acevedo@auburn.edu Orlando Acevedo (P)

Florida International University (B.S.); Duquesne University (Ph.D.)
Associate Professor, Auburn University, Alabama

balbrecht@loyola.edu Birgit (Biggi) Albrecht (P)

University of Surrey, UK (MChem); University of Oxford (Ph.D.)
Assistant Professor of Chemistry, Loyola University, Maryland

Anastassia Alexandrova (P)

Saratov State University, Russia (B.S./M.S.); Utah State University (Ph.D.)
University of California Los Angeles, Assistant Professor of Physical Chemistry
Dapo Babatunde

dapo@doctor.chem.yale.edu Dapo Babatunde (U)

Yale University (B.S.)
Orthopaedic Surgery, Columbia, NY

gabriela.barreiro@yale.edu Gabriela Barreiro (P)

Universidade Federal do Rio de Janeiro, Brazil (M.S.; Ph.D.)

jim.blake@arraybiopharma.com Jim Blake (G)

Purdue University (Ph.D.)
Array BioPharma Inc.; Research Fellow
Mariela Bollini

mbollini@ffyb.uba.ar Mariela Bollini (P)

Universidad de Buenos Aires, Argentina (Ph.D.)
Assistant Professor of Organic Chemistry, University of Buenos Aires, Buenos Aires, Argentina

jbriggs@uh.edu Jim Briggs (G)

Purdue University (Ph.D.)
University of Houston, Associate Professor & Interim Chair of Biology and Biochemistry; Leader, Division of Biochemistry; VisiGen Biotechnologies, Inc., Co-founder, Vice President, and CFO
J. Kathleen Buckner

J. Kathleen Buckner (G)

Purdue University (Ph.D.)

BURES_MARK@lilly.com Mark Bures (G)

Purdue University (Ph.D.)
Lilly Research Labs, Computational Chemistry, Group Leader

carlsonh@umich.edu Heather Carlson (G)

Yale University (Ph.D.)
University of Michigan, Associate Professor of Med. Chemistry and Chemistry

leyla.celik@yale.edu Leyla Celik (P)

Aarhus University (BSc, MSc, & Ph.D.)
Theodore (Ted) Christakis

tchristakis@gmail.com Theodore (Ted) Christakis (U)

Yale University (B.S.)

zcournia@bioacademy.gr Zoe Cournia (P)

National University of Athens (Dipl. Chem.); Ruperto-Carola University of Heidelberg (Ph.D.)
Investigator, Biomedical Research Foundation of the Academy of Athens

mec@lanl.gov Michael Cournoyer (G)

Purdue University (Ph.D.)
Los Alamos National Laboratory
Markus K. Dahlgren

markus.dahlgren@yale.edu Markus K. Dahlgren (P)

Umea University, Sweden (Ph.D.)
Schrodinger, LLC

damm@schrodinger.com Wolfgang Damm (P)

University of Basel (Ph.D.)
Schrodinger, Inc.
Laura Thomas DeFeo

laura.defeo@aya.yale.edu Laura Thomas DeFeo (G)

Duquesne University (B.S.); Yale University (Ph.D.)
Director of Programs and Policy,National Research Council Executive Office, The National Academies

duffy@rib-x.com Erin M. Duffy (G)

Yale University (Ph.D.)
Rib-x Pharmaceuticals, Inc.; Vice President, Structure-Based Drug Discovery
Anil R. Ekkati

ane2012@med.cornell.edu Anil R. Ekkati (P)

Michigan Technological University (Ph.D.)
Research Associate, Weill Medical College of Cornell University, NY

J.W.Essex@soton.ac.uk Jonathan Essex (P)

Oxford University (Ph.D.)
University of Southampton; Senior Lecturer

evanseck@duq.edu Jeffrey D. Evanseck (U)

University of California, Los Angeles (Ph.D.)
Duquesne University, Professor
Jan Fleischer

jmfleisc@ius.edu Jan Fleischer (G)

Yale University (Ph.D.)
Indiana University Southeast

toni.frontera@uib.es Antonio Frontera (P)

University of Balearic Islands (Ph.D.)
Professor in Organic Chemistry, Department of Chemistry, Universitat de les Illes Balears, Spain
Sunil Gandavadi

gskgrandavadi@yahoo.co.in Sunil Gandavadi (P)

dgao@centralstate.edu Daqing Gao (G)

Yale, (M.Sc.); Boston College, (Ph.D)
Central State University, Wilberforce OH; Assistant Professor

gao@chem.umn.edu Jiali Gao (G)

Purdue University (Ph.D.)
University of Minnesota, Dept of Chemistry; Professor

sgothe@PTCBIO.com Scott Goethe (P)

University of Pittsburgh (Ph.D.)
PTC Therapeutics, Inc.; Senior Scientist

cris@ramana.chem.yale.edu Cristiano Guimarães (P)

Universidade Federal do Rio de Janeiro, Brazil (M.S.; Ph.D.)
Amgen
Alan Gushurst

Alan Gushurst (G)

Purdue University (Ph.D.)
Molecular Design Ltd.
Michelle Lynn Hall

Michelle Lynn Hall (P)

Columbia University (Ph.D.)
Alissa Hare

hareaa@caltech.edu Alissa Hare (G)

Calvin College (B.S.); Yale University (Ph.D.)
NIH Postdoctoral Fellow at California Institute of Technology

harold_helson@cambridgesoft.com Harold Helson (G)

Purdue University (Ph.D.)
CambridgeSoft Inc., Senior Computational Chemist
Iordanis Houdaverdis

Iordanis Houdaverdis (G)

Yale University (Ph.D.)
Derrick Howard

derrick.howard@yale.edu Derrick Howard (U)

Yale University 2003, B.Sc.
American Express

kpj@kemi.dtu.dk Kasper Planeta Jensen Kepp (P)

Lund University (Ph.D.)
Associate Professor, Technical University of Denmark

Corky Jenson ()

Yale University
Hongyu Jiang

Hongyu Jiang (G)

Yale University (M.Sc.); Peking University, Beijing (B.S.)

Deborah.K.Jones-Hertzog@gsk.com Debbie K. Jones-Hertzog (P)

Emory University (Ph.D.)
GSK, VP Discovery Development and Lab Systems IT

kamin1ga@cmich.edu George Kaminski (G)

Yale University (Ph.D.)
Central Michigan University; Assistant Professor
Joseph T. Kim

joseph.kim@sanofi.com Joseph T. Kim (P)

University of Illinois at Chicago (Ph.D.)
Senior Research Investigator, SANOFI
Jakub Kostal

jkostal@gmail.com Jakub Kostal (G)

Middlebury College (B.S.); Yale University (Ph.D.)
Chief Science Officer at Sustainability A to Z

ingvar@accelrys.com Ingvar Lagerstedt (P)

Chalmers University of Technology, Gothenburg, Sweden (Ph.D)
Accelrys; Senior Scientist
Ellen Laird

ellen.laird@arraybiopharma.com Ellen Laird (G)

Purdue University (Ph.D.)
Array BioPharma Inc.; Research Fellow

Michelle.Lamb@astrazeneca.com Michelle Lamb (G)

Yale University (Ph.D.)
AstraZeneca R& Boston; Computational Chemist

patrick_s.lee@novartis.com Patrick S. Lee (P)

UCLA (Ph.D.)
Investigator, Novartis
Cheryl Leung

cherylsyleung@gmail.com Cheryl Leung (G)

University of California, Berkeley (B.S.); Yale University (Ph.D.)
Thinktank Learning Educational Consultant
Siegfried Leung

siegfried.leung@ucsf.edu Siegfried Leung (G)

University of San Francisco (B.S.); Yale University (Ph.D.)
Postdoctoral Associate, Laboratory of Professor Matt Jacobson, UCSF

dclim@lgls.co.kr Dongchul Lim (GP)

Seoul National Univ.(BS), Yale Univ (Ph.D.)
LG Life Sciences, Korea; Manager
Rong Liu

yaya60025@yahoo.com Rong Liu (G)

Yale University (Ph.D.)
Cap Gemini; Oracle DBA
Huan Lu

huan.lu@yale.edu Huan Lu (G)

University of Science and Technology of China (B.S.); Yale University (M.S.)
James Luccarelli

james_luccarelli@hms.harvard.edu James Luccarelli (U)

Yale University (B.S.,M.S.); University of Oxford (D.Phil.)
MD Student, Harvard Medical School

theresa@theresamlyons.com Theresa Lyons (G)

Hobart and William Smith Colleges (B.S.); St. John's University (M.S.); Yale University (Ph.D.)
Managing Partner, Lyons & Associates LLC

madura@duq2.cc.duq.edu Jeffry Madura (G)

Purdue University (Ph.D.)
Duquesne University; Professor

michael.mahoney@yale.edu Michael Mahoney (G)

Yale University (Ph.D.)
Yale University, Gibbs Assistant Professor

fenglou@csbl.bmb.uga.edu Fenglou Mao (P)

Peking University (Ph.D.)
University of Georgia
Dave Maxwell

dmaxwell@mdanderson.org Dave Maxwell (G)

Yale University (Ph.D.)
University of Texas M.D. Anderson Cancer Center, Senior Research Scientist
Nora McDonald

nora_a.mcdonald@roche.com Nora McDonald (G)

Yale University (Ph.D.)
Global Studies Leader, Hoffman-LaRoche Limited - MDGC
David McLaughlin

David McLaughlin (G)

Kodak Inc.
Pascal Metivier

pascal.metivier@eu.rhodia.com Pascal Metivier (P)

Rhodia Asia Pacific, Vice President R&D director

mail@julienmichel.net Julien Michel (P)

ENSCL, France (MChem); University of Southampton, UK (Ph.D.)
University of Edinburgh, Royal Society University Research Fellow
Toan Nguyen

Toan.Nguyen@astrazeneca.com Toan Nguyen (G)

Yale University (Ph.D.)
AstraZeneca

sara.nichols@gmail.com Sara Nichols Swift (G)

New York University (B.A.); Yale University (Ph.D.)
Celgene Corporation, Computational Chemist
Dennis Ostrovsky

denis.ostrovsky@gmail.com Dennis Ostrovsky (G)

University of Toronto (M.Sc.); Yale University (Ph.D.)
Associate, Kilpatrick Townsend & Stockton LLP

gigi.paderes@pfizer.com Gigi Paderes (G)

Yale University (Ph.D.)
Pfizer, Inc., Senior Principal Scientist

spearlm1@gmail.com Shoshanna Pearlman (G)

Swarthmore College, B.Sc.; Yale University, M.Sc.
Doctor of Nursing Practice candidate, Hunter-Bellevue School of Nursing; Psychiatric Nurse Practitioner, Parachute Program at Visiting Nurse Service of New York; Expert Educator at Pearlman Tutoring

Catherine.E.Peishoff@gsk.com Catherine Peishoff (G)

Purdue University
SmithKline Beecham Pharmaceuticals; Site Director, Computational, Analytical, and Structural Sciences

jpranata@comp.uark.edu Julian Pranata (P)

CalTech
University of Arkansas

Al_Pierce@vpharm.com Albert Pierce (G)

Yale University (Ph.D.)
Vertex Pharmaceuticals

mprice@incresearch.com Melissa L. Price (Plount) (G)

Yale University (Ph.D.)
Executive Director, INC Research Strategic Alliances, Oncology

Dan Price (G)

Yale University (Ph.D.)
Postdoctoral Associate; Laboratory of Professor Charles L. Brooks, III

prablen1@swarthmore.edu Paul R. Rablen (P)

Yale University (Ph.D.)
Professor, Swarthmore College Department of Chemistry and Biochemistry
Krishna Ravindranathan

krishna.ravindranathan@yale.edu Krishna Ravindranathan (P)

Rutgers University (Ph.D.)

repasky@schrodinger.com Matthew Repasky (G)

University of Miami, B.Sc.; Yale University, Ph.D.
Schrodinger, Inc.; Scientific Developer

mrichardson@arqule.com Miriam Richardson (G)

Yale University

rizzo@ams.sunysb.edu Robert Rizzo (G)

Yale University (Ph.D)
Assistant Professor, SUNY Stony Brook
Juliana Ruiz-Caro

juliana.ruiz-caro@yale.edu Juliana Ruiz-Caro (P)

Univ. Complutense de Madrid (Ph.D.)
Max-Planck-Institut, Mülheim an der Ruhr (Postdoc)

salatit@basf-corp.com Timothy Salatin (G)

Purdue University
BASF Coatings AG,Industrial Coatings Soulutions, Director, Global Technology
Kurt W. Sattelmeyer

sattlmyr@ramana.chem.yale.edu Kurt W. Sattelmeyer (P)

University of Georgia (Ph.D.)
Patric Schyman

patric.schyman@gmail.com Patric Schyman (P)

wshaffer@uclink4.berkeley.edu Wendy Shaffer (U)

Yale University (B.S.)
Graduate Student, UC Berkeley
Shane Shariffskul

s-shariffskul@northwestern.edu Shane Shariffskul (U)

Yale University (B.S.)

dseverance@kalypsys.com Dan Severance (GP)

Purdue University (Ph.D.)
Kalypsys, Inc, Associate Director

sheena.sinclair@dupont.com Sheena Sinclair Giraud (G)

Yale Univ (Ph.D.)
Regulatory Consultant, DuPont

dspell@us.ibm.com David Spellmeyer (U)

Purdue University (B.S.), UCLA (Ph.D.)
IBM Almaden Research Center
David Steinberg

david.steinberg@yale.edu David Steinberg (U)

Yale University
Todd Sullivan

todd.sullivan@yale.edu Todd Sullivan (P)

Carol Swenson

Carol Swenson (P)

john@johnterhorst.com John Terhorst (G)

University of Redlands (B.S.); Yale University (Ph.D.)
Adjunct Professor of Chemistry, Vanguard University of Southern California
Vinay Thakur

vthakur@melinta.com Vinay Thakur (P)

National Chemical Laboratory, Pune, India (Ph.D.)
Senior Scientist, Melinta Therapeutics

yukio@nyssa.chem.yale.edu Yukio Tominaga (P)

Osaka University (Ph.D.)
Dainippon Pharmaceutical
Alex Trofimov

alexander.trofimov@yale.edu Alex Trofimov (P)

Syktyvkar State Univerisity, Russia (B.S.); University of Illinois at Chicago (Ph.D.)
Irix Pharmaceutical
Vickie Tsui

vickie.tsui@aya.yale.edu Vickie Tsui (U)

The Scripps Research Institute
Senior Scientist, Department of Discovery Chemistry, Genentech

ivan@tubert.org Ivan Tubert-Brohman (G)

Yale University (Ph.D.)
Associate Principal Scientist, Schrodinger, LLC

Marina_Udier-Blagovic@mckinsey.com Marina Udier Blagovic (G)

Yale University (Ph.D.)
Strategic Marketing Group, Novartis Pharma

Jakob@sjtu.edu.cn Jakob Ulmschneider (G)

Yale University (Ph.D.)
Associate Professor, Institute of Natural Sciences and Physics Dept., Shanghai Jiao Tong University

work@vanhoorn.co.uk Willem P. van Hoorn (P)

University of Twente, Enschede, the Netherlands (Ph.D.)
Head of Chemoinformatics at Ex Scientia Ltd, Dundee, UK
Connie Wang

connie.wang20@gmail.com Connie Wang (U)

Yale University (B.S.)
Graduate Student with Tom Miller, CalTech
Deping Wang

deping2000@yahoo.com Deping Wang (P)

Hong Kong University of Science and Technology (Ph.D.)
Associate Principle Scientist, Merck
Edward Watkins

ewatkins@amtechsolder.com Edward Watkins (P)

Pennsylvania State University (Ph.D.)
Senior Research Chemist, AMTECH

Steven.Wesolowski@astrazeneca.com Steve S. Wesolowski (P)

University of Georgia (Ph.D.)
AstraZeneca Pharmaceuticals; Senior Scientist and Group Leader
Zheren (James) Yang

zheren.j.yang@gmail.com Zheren (James) Yang (U)

Yale University (B.S.)

weiya.yun@roche.com Weiya Yun (G)

Hoffmann-La Roche, Inc., Senior Principal Scientist
Jaco Zeevaart

jaco.zeevaart@gmail.com Jaco Zeevaart (P)

Director, Research and Innovation, Wild Flavors Inc.

Esteemed Visitors

rbatra@gmx.net Rohit Batra (V)

University of Basel, Switzerland
University of Basel, Switzerland
Mattia Bernetti

mattia.bernetti@studio.unibo.it Mattia Bernetti (V)

Alma Mater Studiorum Universita di Bologna, Italy

bernard.bigot@cea.fr Bernard Bigot (V)

Professor of the French Universities, Chairman and Chief Executive Officer of the Alternative Energies and Atomic Energy Commission (CEA)
Luciene Borges

lubosi@terra.com.br Luciene Borges (V)

Postdoc with Professor Ribeirao Preto
Simone Fulle

fulle@bio.mx Simone Fulle (V)

Goethe-University of Frankfurt (Ph.D.)
Research Group Leader at BioMed X GmbH, Heidelberg
Jan Haak

Jan Haak (V)

Hannes Harbrecht

h.harbrecht@gmail.com Hannes Harbrecht (V)

University of Cambridge (M.Phil.); University of Oxford (M.Sc.)
Medical School, University of Heidelberg, Germany
William DeWitt  Horrocks, Jr.

William DeWitt Horrocks, Jr. (V)

MIT, Ph.D.
Pennsylvania State University, State College, Professor

roland.huber@uibk.ac.at Roland Huber (V)

University of Innsbruck (Ph.D.)
Valeria LaPietra

valeria.lapietra@unina.it Valeria LaPietra (V)

PostDoctoral fellow at the University of Naples Federico II
Nunzio Iraci

nunzio.iraci@gmail.com Nunzio Iraci (V)

Università di Messina
Research Associate, Department of Pharmaceutical Sciences, University of Perugia
Arshad Kahn

Arshad Kahn (V)

Pennsylvania State University, DuBois

hskim@mail.ulsan-c.ac.kr Hag-Sung Kim (V)

Kyungpook National University (Ph.D.); Work: Ulsan College, Korea
Ulsan College, Korea; Professor
Sara Kramar

sara.kramar.11@ucl.ac.uk Sara Kramar (V)

UCL School of Pharmacy, London, UK (Ph.D.)

Tooru Matsui (V)

Matsushita, Osaka, Japan

modesto@luz.bq.ub.es Modesto Orozco (V)

parc Cientific de Barcelona & Universitat de Barcelona, Spain; Professor of Biochemistry

vpeuch@chimie.ens-lyon.fr Vincent Peuch (V)

Graduate Student, Ecole Normale Superieure de Lyon, France

rawash@yu.edu.jo Abdel Rawashdeh (V)

Missouri University of Science and Technology (Ph.D.)
Associate Professor at Yarmouk University, Jordan
Massimo Selmi

Massimo Selmi (V)

Graduate Student, Italy

tintori@unisi.it Cristina Tintori (V)

Research Associate, University of Siena

fvv@uvic.ca Frank van Veggel (V)

University of Twente, The Netherlands (Ph.D.)
Professor of Chemistry, University of Victoria, BC, Canada, and Canada Research Chair in Supramolecular Photonic Materials