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2012 COMP Election

posted Jul 11, 2012, 8:29 AM by Yi-shu Tu   [ updated Jul 11, 2012, 9:31 AM by Ed Sherer ]

The election this year will be held electronically via a Survey Monkey ballot. This ballot will be sent to your ACS e-mail address. If you have blocked e-mail from ACS or from Survey Monkey, you will not see the ballot. If you are looking to vote and are a COMP member, but have not seen the ballot, please contact the Secretary.

This year's election will be to choose a Chair of the division for 2014 who will serve as the Chair-Elect in 2013. We will also be electing two councilors and two alternates. Of the four members running for this position, the two members receiving the most votes will be elected to the primary Councilor positions with the other two candidates holding the position of Alternate.

Chair-Elect (for Chair 2014)

  • Terry Stouch
  • Angela Wilson

Councilors (2 to be elected for 2013-2015)

  • Rommie Amaro
  • Rigoberto Hernandez
  • Peter Jurs
  • Melisa Landon
Biographies of Candidates for COMP Election 2012: Chair
1) Terry Richard Stouch
My research experience includes: computer-aided drug design, QSAR, force field
development, molecular dynamics simulation, protein structure, membrane structure,
crystallography, molecular electrostatics, software development, quantum chemistry,
and material science. During my 18 years in the pharmaceutical industry – 14 years
at Bristol-Myers Squibb, a large pharmaceutical company and four years at Lexicon
Pharmaceuticals, a genomics-based biotech – I worked in every aspect of drug discovery
research: genomics, target selection, cheminformatics, compound collection design, hit
determination, lead optimization, delivery, and development.
I earned my PhD with Peter Jurs at Penn State University and was a postdoc in the
Laboratory for the Structure of Matter, the crystallographic laboratory at the Naval
Research Lab. I am the founder, president, and principal scientist at Science for
Solutions, LLC, a consulting firm that specializes in drug discovery, antisense, chemical
software, chemical and biomolecular databases, data evaluation, and ADME/Tox. I’ve
had a long-term consultancy with the Protein Data Bank. I have always been predisposed
to finding solutions to practical problems, but believe that this is best done through an
understanding of the underlying fundamental science. Although I have held a succession
of organizational and managerial roles, I believe in maintaining a "hands-on" approach in
order to truly understand the research being done. My research focuses on drug design,
QSAR, large scale biomolecular molecular dynamics simulations (largely in biological
membranes), and force fields.
I’ve learned that experience is the best teacher and even though I have shared what
I have learned in over 70 publications and 140 invited lectures I want to reach out
to the next generation of computational chemists. Consequently, I am an adjunct at
Duquesne University and previously at the University of Kentucky. In recognition of my
accomplishments as a computational chemist, I am a Fellow of both IUPAC and AAAS,
served on computational committees at the Pacific Northwest National Laboratories and
IUPAC. I am currently the Senior Editor-in-Chief of the Journal of Computer-Aided
Molecular Design (JCAMD). A former chair of the Gordon Research Conference on
Computational Chemistry, I continue to serve on its executive committee.

A 32-year member of the ACS, I am actively involved in the COMP division. I have
organized and/or chaired several symposia (most recently “The PDB & Chemistry”
and “Tautomers in Biology”), frequently presented research at and attended a majority
of the national meetings over the last 30 years, and participated as a judge in several of
the competitive symposia hosted by the COMP division. For the past several years I have
participated in the COMP Division’s Executive Committee and Programming Board
meetings in my JCAMD editorial role in order to provide support for the excellent work
of COMP. Consequently, JCAMD has supported many symposia.
I have always seen the COMP division as one of the most active and dynamic ACS
divisions and I would like to contribute to the momentum. More active member
participation will be one goal. This does not need to be centered on national ACS
meetings. As a member of the MACCs (Middle Atlantic Computational ChemistS)
Executive Committee, a recent speaker at BAGIM (Boston Area Group for Informatics
and Modeling), and a member of “COMP Together”, I have seen that the COMP division
can make a contribution to local computational chemistry meetings and believe that more
can be done. I would also like to see an even closer collaboration with other divisions
to ensure that COMP bridges all disciplines where computational chemistry is used or
could be of value, including materials, agrochemistry, geochemistry, energy, and green
chemistry as well as pharmaceutical and life sciences which has been a strength of the
COMP division.
In this era of rapid organizational change, consolidation, and reorganization, it behooves
all of us to be increasingly aware of career options and educational advancement.
In keeping with the best interest of its membership, the COMP division can – and
should – play an integral role in communicating to its members career and educational
opportunities and more closely integrate with related ACS activities.
2) Angela K. Wilson
Angela is a Regents Professor of Chemistry, Director of the Center for Advanced
Scientific Computing and Modeling (CASCaM), and leader of the Computational
Chemical Biology (C3B) research cluster at the University of North Texas (UNT),
where she leads a research group of over two dozen scientists including undergraduate
students, graduate students, and postdoctoral fellows. She obtained her B.S. in chemistry
from Eastern Washington University, her Ph.D. from the University of Minnesota, and
completed her postdoctoral work at Pacific Northwest National Laboratory (PNNL) with
Thom H. Dunning, Jr. She has been a visiting research scientist at the University of
Sydney (Australia), PNNL, and Oak Ridge National Laboratory.
Angela’s current research, sponsored by both federal grants and the pharmaceutical
industry, spans multiple areas including computer-aided drug design; development
and application of methods for the prediction of mechanical properties of composite
materials; CO2-molecule interactions, from small molecule to CO2-protein interactions of
potential importance in CO2 reduction, utilization, or sequestration; quantum mechanical
method and basis set development (ab initio and density functional theory), and
application of the developed methodologies in areas including environmental chemistry,
transition metal chemistry, and materials science.
Angela has been an active member of ACS for 22 years. She is a Fellow of ACS, an
ACS National Councilor (2004-Present), is on the ACS Committee on Nominations
and Elections, where she serves as secretary, and is an Executive Member of the
Division of Physical Chemistry. She has been active on the ACS Committee on Science
and has organized numerous computational chemistry conferences and symposia
at ACS meetings, including the 2010 ACS Award for Computers in Chemical and
Pharmaceutical Research Symposium.
Angela is on the editorial advisory boards of the ACS Journal of Physical Chemistry,
International Journal of Quantum Chemistry, and Computational and Theoretical
Chemistry. She has been a guest editor of the Journal of Physical Chemistry A, editor
of an ACS series book, and is presently editing another ACS series book. She is on the
leadership team for IUPAC’s Division of Physical and Biophysical Chemistry, is on the
U.S. National Committee for IUPAC, is a National Associate of the National Academies,
and has been appointed twice by the National Academies to serve on the six-member
U.S. delegation to the IUPAC General Assembly to represent U.S. interests.
The COMP Division has a strong history of quality meeting programming and
opportunities for our membership. If elected, Angela will continue these efforts and will
work towards strengthening ties with other divisions, developing strategies to further
emphasize the importance of computational chemistry across fields, and providing new
opportunities for our membership.
Biographies of Candidates for COMP Election 2012: Councilor
1) Rommie Amaro
Dr. Amaro received her Ph.D. in Chemistry from the University of Illinois at Urbana-
Champaign (UIUC) in 2005. Following that, she was a NIH Ruth Kirschstein
postdoctoral fellow at the University of California, San Diego. From 2009-2011,
Dr. Amaro was an Assistant Professor at the University of California, Irvine, and in
2012, she joined the Department of Chemistry and Biochemistry at the University of
California, San Diego. In 2010 she was selected as a NIH New Innovator Awardee and
also received the Presidential Early Career Award for Scientists and Engineers. Dr.
Amaro’s research is broadly concerned with the development and application of state-
of-the-art computational methods to address outstanding questions in drug discovery
and molecular-level biophysics. She has served as an Alternate Councilor for the
American Chemical Society’s Division of Computers in Chemistry since 2008 and has
focused much of her service efforts towards outreach and diversity initiatives, including
establishing the popular mentor lunches at the national ACS meetings, helping to
launch the Teach Discover Treat (TDT) initiative, and the development of her lab’s own
2) Rigoberto Hernandez
Georgia Section. Georgia Institute of Technology, Atlanta, Georgia.
Academic Record: Princeton University, B.S.E. in Chemical Engineering and
Mathematics, magna cum laude, 1989; University of California, Berkeley, Ph.D.,
1993; Weizmann Institute of Science (Rehovot, Israel), Postdoctoral Fellow,
1994; University of Pennsylvania, Postdoc, 1995-1996.
Honors: Vasser Woolley Faculty Fellow, Georgia Tech, 2011-2013; APS Fellow,
2011, ACS Fellow, 2010; Sackler Visiting Chair in Exact Sciences, Tel Aviv
University, 2010; Humboldt Research Fellow, 2006-08; American Association
for the Advancement of Science, Fellow, 2005; Goizueta Foundation Junior
Professor, Georgia Tech, 2002-06; Alfred P. Sloan Fellow, 2000; Sigma Xi
Southeast Regional Young Investigator, 2002 and 2000; Research Corporation
Cottrell Scholar, 1999; Blanchard Assistant Professor of Chemistry, Georgia
Tech, 1999-01; National Science Foundation CAREER Award, 1997; NSF
Graduate Fellow, 1989-92; and Sigma Xi, Member, 1994.
Professional Positions (for past 10 years): Georgia Institute of Technology, Professor,
2009 to date; Associate Professor, 2002-09; Co-Director of Center for
Computational Molecular Sciences & Technology, 2000 to date; Assistant
Professor, 1996-02.
Service in ACS National Offices: By-Laws Councilor, 2012; Committee on Committees
(ConC), 2009-14; ConC Liaison to LSAC, 2009-11; ConC Liaison to CWD,
2009-11; Committee on Divisional Activities (DAC), 2004-08; DAC Liaison
to PHYS, 2005-08; DAC Liaison to COMP, 2006-08; Joint DAC/LSAC
Subcommittee, Co-Chair, 2005-07; Board Committee on “Minorities in Academe
Implementation Team,” 2003-04; Hildebrandt Award Canvassing Committee,
Service in ACS Local Offices: Member ACS since 1992. Georgia Section: Councilor,
2003-11; Chair, Herty Award Committee, 2006-present; Webmaster, 2006-
present; Founding Chair, Herty Medal Undergraduate Research Symposium
(HMURS), 2006-10; Chair, 75th Herty Medal Celebration 2009; Past-Chair, 2000;
Chair, 1999; Chair-Elect, 1998.
Member: American Association for the Advancement of Science; American Physical
Society; Biophysical Society. ACS Divisions: Computational Chemistry, Physical
Chemistry; and Polymer Chemistry.
Related Activities: Director of the Open Chemistry Collaborative in Diversity Equity
(OXIDE), 2010 to date; NIH MSFB Study Section, 2009-2013; Research
Corporation Cottrell Scholars Advisory Committee, 2011-13; Chair of the
Telluride School on Theoretical Chemistry (TSTC), Telluride, Co, 2011;
National Academies Board on Chemical Sciences and Technology, 2007-10;
Board of Directors of Telluride Science Research Center (TSRC), 2007-09;
External Review Committee for Morehouse College Chemistry Department,
2007; Steering Committee for NSF Workshop on complexity and emergent
phenomenon, 2007; Steering Committee for NSF Workshop on excellence
empowered by a diverse workforce, 2007; National Academies Committee on
advanced chemical imaging, 2005-06; published over 60 peer-reviewed articles to
3) Peter Jurs
Division of Computers in Chemistry (Central Pennsylvania Section). Pennsylvania
State University, University Park, Pennsylvania.
Academic Record: Stanford University, B.S., 1965; University of Washington, Ph.D.,
Honors: ACS Fellow, 2009; Presidential Award for Excellence in Academic Integration,
Penn State, 1998; ACS Award for Computers in Chemistry, 1990; Barbara and
Dean Martin Lecturer, University of South Florida, 2000; Archer Lecture in
Organic and Medicinal Chemistry, Renssalear Polytechnic University, 2001;
American Association for the Advancement of Science Fellow, 1987; Merck
Award for Faculty Development, 1970.
Professional Positions (for past ten years): Pennsylvania State University, Emeritus
Professor, 2005 to date; Professor, 1978-05; Assistant Head for Undergraduate
Education, 1995-04; Acting Department Head 1998-99.
Service in ACS National Offices: Council Policy Committee, 2012-14; Committee
on Nominations and Elections, 2006-11; Committee on Publications, 1997-
04, Committee Associate, 2005-08; Society Committee on Publications, 1991-
97; Society Committee on Chemical Abstracts Service, 1982-90; Committee
on Membership Affairs, Committee Associate, 1979; Advisory Board, Journal
of Chemical Information and Modeling, 2005-07; Advisory Board, Journal of
Chemical Information and Computer Science, 2004, 1977-85; Advisory Board,
Journal of Medicinal Chemistry, 1994-98; Advisory Board, Analytical Chemistry,
Service in ACS Offices: Member ACS since 1965. Division of Computers in
Chemistry: Councilor, 1997-08, 1979-93; Alternate Councilor 1994-96. Central
Pennsylvania Section: Secretary, 1971.
Member: American Association for the Advancement of Science, Fellow. ACS
Divisions: Analytical Chemistry; Chemical Education; Computers in Chemistry,
and Professional Relations.
Related Activities: Editorial Advisory Board, Chemical & Engineering News, 2000
to 2004; Consultant to: Los Alamos National Laboratory; Molecular Design,
Ltd.; W.R. Grace; Beilstein Institute; Chemical Manufacturers Association;
Chair, Organizing Committee, 3rd Symposium on Computer-Enhanced Analytical
Spectroscopy, Snowbird, Utah, June, 1990; Gordon Research Conference on
Computer Aided Drug Design, Chair, July 2005, Program Chair, July 2003;
National Science Foundation, Program Director, Chemical Analysis, 1983-84;
Analytica Chimica Acta, Editorial Board, 1977-88; ChemTracts, Analytical and
Physical Chemistry, Contributing Scholar; Member-at-Large, Section Committee
on Chemistry of the AAAS, 1999-03; supervised 57 graduate chemistry degrees;
co-author of general chemistry textbook Chemistry: The Molecular Science, 4th
Edition, Brooks/Cole; approximately 270 research publications.
4) Melissa Landon
Melissa has been active in the COMP division for several years, first serving as secretary
and then assistant programming chair. Raised a navy brat in Virginia, Melissa received
bachelor's degrees in chemistry and applied mathematics from Virginia Commonwealth
University. Based on her keen interest in interdisciplinary research, she pursued
graduate studies in bioinformatics at Boston University, where she developed methods
for in silico fragment-based drug design in the laboratory of Sandor Vajda. After
spending many years behind a computer, upon completion of her PhD Melissa decided
to move to the lab bench. She received postdoctoral training in protein biochemistry and
x-ray crystallography in the laboratory of Greg Petsko and Dagmar Ringe. While she
greatly enjoyed this experience, Mel decided that pipeting wasn't for her and returned
to her roots as a structural bioinformaticist at Cubist Pharmaceuticals. While at Cubist
she worked on numerous early-stage drug discovery programs, performing tasks ranging
from bioinformatics to chemoinformatics and modeling. Two years ago she embarked
on a new adventure and moved to Toronto with her husband Joe and dog Tui. During
her time in Toronto she has worked with academic groups on commercial translation of
their research and started her own company, LogPhase LLC. As a consultant she works
primarily with venture capital and startup biotech companies to advance their research
programs and make sound scientific decisions. Mel also greatly enjoys teaching and
in her spare time teaches a distance learning structural bioinformatics course. When
she needs a break from science, she hammers away at metal or makes jewelry in her art
studio. She recently finished her first half marathon and enjoys cycling and other outdoor
Yi-shu Tu,
Jul 11, 2012, 8:29 AM