[Product Releases]
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[Blog]
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Most
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[News]
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Can we trust docking results?
Sept 2010
IBM Systems and Technology Group releases a white
paper with eHiTS and Cell
Oct
2008
EPA's ToxCastTM project will use SimBioSys' eHiTS as docking
engine
Nov, 2007
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[Events]
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243rd ACS
Mar 25-29, 2012
San Diego, CA
see >> more
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Scientific
Conference
Presentations
by SimBioSys Inc.
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2012
2011
June 5-9, 2011, ICCS Conference, Noordwijkerhout, NL
Tony Cook et.al.: "ARChem route designer: The application of automated retrosynthetic rule generation to synthesis analysis"; view talk: PDF
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June 2, 2011, University of Toronto Chemistry Librarian Workshop
Orr Ravitz et.al.: "Computer aided synthesis design - an introduction to ARChem"; view talk: PDF
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Apr 20, 2011, Toronto Area Drug Discovery Group Discussion Meeting
Orr Ravitz et.al.: "Opportunities, challenges and dilemmas in
Computer-Aided Synthesis Design"; view talk: PDF
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Mar 27-31, 2011, 241st
Spring ACS Meeting, Anaheim, CA
Orr Ravitz et.al.: "Back to the future
of synthesis planning: how new technology and new resources revitalize
the vision of computer aided synthesis design"; view: abstract, view talk: PDF; HTML
Zsolt Zsoldos el.al: "Recent developments in the eHiTS ligand docking and scoring software"; view: abstract, view: talk;
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2010
Aug 22-26, 2010, 240th
Fall ACS Meeting, Boston, MA
Zsolt Zsoldos et.al: "Protein-ligand
docking on the Cell/BE processor with eHiTS Lightning"
view: talk
Peter Johnson et.al.: "Automated
retrosynthetic analysis: An old flame rekindled"
view: talk
Sean Ekins et.al.: "LASSO-ing
potential pregnane X receptor agonists"
view: talk
Zsolt Zsoldos et.al: "How eHiTS solves
the docking and scoring problems"
view: talk
Zsolt Zsoldos et.al: "Scoring
performance of eHiTS on the CSAR dataset"
view: talk
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Mar 22, 2010, 239th
Spring ACS Meeting, San Francisco, CA
Orr Ravitz et.al.: "Improving
molecular docking through eHiTS' tunable scoring function"
view: abstract, view: talk; Audio
/ Slides from the ACS Website
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Mar 02, 2010, Fields
Institute, University of Toronto, ON, Canada
Zsolt Zsoldos: Algorithmic and
mathematical challenges in protein-ligand docking and scoring
view: abstract, view: talk; Audio
/ Slides from the Fields site
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2009
Oct 12-17, 2009,
eChemInfo meeting, Bryn Mawr, PA USA
Zsolt Zsoldos, Orr Ravitz et.al:
Improving Molecular Docking Through a Tunable Scoring Function
view: abstract, view: talk,
view: poster
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Mar 22-26, 2009,
237th ACS meeting, Salt Lake City, UT USA
7 talks by SimBioSys founders and scientists: CINF
044, CINF
063, CINF
033, CINF
073, COMP
001, COMP
208, COMP
214
See SimBioSys Spring ACS 2009 event page with abstracts and full presentations.
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Feb 25-27,
2009, CHI's
Tri-Conference / Molecular Medicine, San Fransico, CA, USA
Danni Harris
et.al: Use of
training techniques in eHiTS improves score-RMSD and score-IC50
correlations in in-silico high throughput screening.
view abstract, poster.
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2008
Oct
13-17, 2008, eChemInfo
Meeting, Bryn
Mawr, PA, USA
Zsolt
Zsoldos et.al: The eHiTS scoring function
view abstract
Danni
Harris et.al:
Utilizing training techniques in eHiTS improve score-RMSD and
score-IC50
correlations in in-silico
high throughput screening.
view abstract
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Aug
17-21, 2008, 236th
ACS Fall meeting, Philadelphia, PA, CINF
54
Aniko Valko et.al.:
Introducing CLiDE Pro
view abstract, presentation
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Aug
17-21, 2008, 236th
ACS Fall meeting, Philadelphia, PA, CINF
78
A. Peter Johnson et.al.: A
new, automated retrosynthetic
search engine: ARChem
view abstract, presentation
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June 25-27, 2008, CHI's
Structure-Based Design: Sophisticated
Approaches to Drug Discovery,
World Trade Center - Boston, MA
Zsolt Zsoldos: eHiTS
Lightning
Redefines the
State-of-the-art for Structure-Based Virtual Screening
view abstract
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May 27, 2008, Symposium on GPU and
CELL Computing,
University of Waterloo, Waterloo, Ontario, Canada
Zsolt Zsoldos et.al.: eHiTS Lightning
on the Cell B.E. processor
view presentation
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June
1-5,
2008, 8th
International Conference on Chemical Structures,
Noordwijkerhout,
The Netherlands, A. Peter Johnson et.al:
Introducing ARChem
Route Designer
view abstract
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Apr
29,
2008, BIO-IT
World
Conference & Expo, Boston, MA, USA, Zsolt
Zsoldos et. al:
eHiTS Lightning Redefines the
State-of-the-art for StructureBased Virtual Screening
view "Best-of-Show-Award" finalist's
notice
and presentation |
Apr 24, 2008, UK-QSAR
and ChemoInformatics Group meeting, Lilly UK, Windlesham,
Surrey
Peter Johnson et.al.: LASSO -
ligand
activity
by surface similarity order: a new tool for ligand based virtual
screening applied to 18 million structures
view abstract, presentation
Apr 6-10, 2008, SBS
14th Annual
Conference, St Louis, MO
Antony Williams et.al.: How a
Structure-Centric Community for Chemists Can Benefit Drug Discovery -
Virtual Screening Experiments Utilizing a Publicly Accessible Ligand
Database, QSAR Modeling Tools and a Virtual Docking Software Package
view abstract, presentation
Apr 6-10, 2008, 235th
ACS meeting Spring 2008 , New Orleans, LA
Zsolt Zsoldos et.al: eHiTS
Lightning
Redefines the State-of-the-art for Structure-Based Virtual Screening
view abstract, COMP
57, presentation
Antony Williams: ChemSpider:
Building a
structure-centric community for chemists
view abstract, CINF
25, presentation
2007
Nov, 2007, UNC-Chapel Hill and NISS, Virtual Screening and
Docking Seminars, RTP, NC, USA, event
page
Zsolt Zsoldos (SimBioSys):
Matching
high-performing flexible docking software to high-performing hardware.
Extremely fast virtual screening without loss of accuracy using eHITS; Presenatation in
PDF
Darryl Reid (SimBioSys):
Reclaiming the
Potential of Virtual Screening; Presentation
in PDF
Alex Tropsha (UNC Chapel Hill):
Cheminformatics Approaches to Virtual Screening; Presentation,
PDF
Stan Young (National Institute
of
Statistical Sciences/NCSU): PharmID: 3D pharmacophore identification; Presentation
in PDF
Rocky Goldsmith
(US-Environmental Protection
Agency): An overview of structure-based in silico biomolecular
interaction profiling strategies within the ToxCast computational
toxicology framework; Presentation
in PDF
Nov, 2007, Pfizer, La Jolla, Seminar and workshop, La Jolla,
CA,
USA
Zsolt Zsoldos: eHiTS:
fast,
exhaustive, accurate flexible ligand docking and screening
Zsolt Zsoldos: Conformation
independent QSAR Descriptor, scaffold hopping with surface property
based eHiTS LASSO
Darryl Reid: SPROUT
-
realizing the potential of de novo design
Darryl Reid: Route
Designer
Oct, 2007, eChemInfo
Meeting, Bryn
Mawr, PA, USA
Zsolt Zsoldos et.al: Combining methods for VHTS: ligand-based LASSO and
structure-based eHiTS
view abstract
Darryl Reid et.al: Rope your next Scaffold: LASSO - a ligand based
scaffold hopping tool
view abstract
or presentation
Aug, 2007, The
234th ACS National Meeting, Boston,
MA, USA
Zsolt Zsoldos et.al: Conformation independent QSAR Descriptor,
scaffold hopping with Surface property based eHiTS LASSO
view abstract
June, 2007, Drug
Discovery
Workshop, Oxford, UK
Colin Fishwick et.al: De novo molecular design and VHTS: A powerful
strategy for Drug discovery
view abstract
March, 2007, The
233rd ACS National Meeting,
COMP
37: A
Peter Johnson et al: SynSPROUT and SPROUT-LeadOpt: De novo ligand
design and optimization guided by virtual synthesis
View: [abstract],
[presentation]
COMP
38:
Zsolt Zsoldos et al: Fragment based docking combined with synthetic
planning: De novo eHiTS
CINF
68: Darryl
Reid, et al: Surface interaction property based
similarity searching with the eHiTS Filter
COMP
300:
Darryl Reid, et al: eHiTS and the Sun Grid Compute
Utility: Using massively parallel computation for docking
view abstracts: [1],
[2],
[3],
[4]
March, 2007,
Advances in Structure-based Drug Design, Science & Technology
Forum
V --- 2007, March 17th, 2007, Inst. of Americas, UCSD
Darryl Reid: "Fragment based flexible ligand docking and screening with
eHiTS"
view: abstract
or presentation
2006
Oct., 2006: Univ.
of
Toronto MSc. seminar, Oct 23, 2006, Toronto,
ON, Canada
Darryl Reid: "Computational approaches and applications in the the drug
discovery pipeline."
view: abstract
Sep., 2006: The 232nd ACS National Meeting,
September
10-14, 2006, San Francisco, US
Zs. Zsoldos, et.al.:
"eHiTS_Score: A new statistically derived empirical scoring function"
view: abstract, ACS
site linkt or presentation
Zs. Zsoldos, et.al.: "Virtual ligand screening with eHiTS"
view: abstract, ACS
site link or presentation
A.P. Johnson, et.al.: "Introducing Route Designer v1.0"
view: abstract, ACS
site link or presentation
Aug., 2006: DDT August
7-10, 2006, Boston,
US
D. Reid et.al.: "eHiTS_Score, the next stage in scoring function
evolution: a new statistically derived empirical scoring function"
view: abstract
or presentation
Jul., 2006: CCCC6 July
26-30, 2006, Vancouver, BC, Canada
Zs. Zsoldos, et.al.: "eHiTS: electronic High Throughput Screening"
view: abstract
or presentation
Apr., 2006: MGMS,
Docking and
Scoring meeting, April 5-7, 2006, Southampton UK
Zs. Zsoldos, et.al.: "eHiTS: a fast, exhaustive flexible ligand docking
engine"
view: abstract
or presentation
D. Reid, et al.: "eHiTS_Score: a new
statistically derived empirical scoring function."
view: abstract
or presentation
Mar., 2006: The
231st ACS National Meeting, March 26-30, 2006,
Atlanta, GA,
USA,
A.P. Johnson, et.al.: "DeNovo design tools for the generation of
synthetically accessible ligands"
view: abstract
or presentation
2005
April,
2005: Darryl Reid
et.al.:
"Systematic and exhaustive software tools for structure based rational
drug design"
ECCC 10 - 10th Electronic
Computational
Chemistry Conference
view: abstract
or presentation
March 30-April 1 2005:
Darryl Reid et.al.: "Protein family tunalbe scoring functions;
Improving enrichment with eHiTS."
CHI,
Virtual
Screening and Strcuture Based Drug Design, Boston, MA, 2005
view: abstract or presentation
2004
November
8-19, 2004:
Darryl Reid et.al.: "Enrichment and cross-validation studies of the
eHiTS high throughput screening software package"
eCheminformatics
2004
view: abstract
or presentation
August 22-26, 2004: 228th
ACS
National Meeting, Philadelphia,
PA (USA)
Dr. Zsolt Zsoldos presents in the Docking and Scoring Symposium.
Division of Computers in Chemistry
view: abstract or presentation
August 22-26, 2004:228th
ACS National Meeting, Philadelphia,
PA (USA)
Dr. Zsolt Zsoldos presents in the Skolnik Symposium. Division of
Chemical Information.
view: abstract or presentation
April 21-23, 2004:
3rd
Joint Sheffield
Conference on Chemoinformatics (UK)
view: abstract
2003
November 10-14, 2003:
Dr. Zsolt Zsoldos presents at the
eCheminformatics
2003
view: abstract
or presentation
July 27-30, 2003:
Dr. Zsolt
Zsoldos presents at the
5th
Canadian Computational
Chemistry Conference (CCCC5), Toronto, (Canada)
view: abstract
or presentation
July 20-25, 2003:
Dr. Zsolt
Zsoldos presents at the
GRC on
Computer
Aided Drug Design conference, Tilton, NH, (USA)
view: abstract
or presentation
June 27-29,
2003: Dr. Zsolt
Zsoldos will
speak at the
THE
ROLE OF
CHEMISTRY IN THE EVOLUTION OF MOLECULAR MEDICINE: A tribute to
Professor Albert Szent-Gy�rgyi.
Szeged,
(Hungary)
view: abstract
Published in the Special Issue of:
Journal
of Molecular Structure: THEOCHEM, Volumes 666-667, 29
December 2003, Pages 659-665
June 26-28, Dr. Zsolt Zsoldos gives a talk at the
Annual
Meeting
of the
Hungarian Chemical Society, Hajduszoboszlo, (Hungary)
view: abstract
or presentation
2002
August 18-22,
2002: Dr. Zsolt
Zsoldos
will speak at the
224th
ACS National Meeting, Boston, MA (USA)
view: abstract
or presentation
March 22nd,
2002: Dr. Zsolt
Zsoldos gives a seminar at the
Toronto
Undergraduate
Biotechnology Symposium, University of Toronto (Canada)
view: abstract
or presentation
2001 and earlier
August
5-10, 2001: poster
presentation at the Gordon
Research
Conference on Quantitative Structure Activity Relationships
conference. Tilton, NH (USA)
view: abstract or poster
April
9-11, 2001 Dr. Zsolt
Zsoldos
speaks at the MGMS / CSA sponsored conference:
Computational Tools
for Lead
Discovery conference in Sheffield (UK).
view: abstract or presentation
June
1999, Dr. Zsolt
Zsoldos speaks at
the Fifth International Conference on Chemical Structures,
Noordwijkerhout (Netherlands)
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Previous
Conference
Presentations by
SimBioSys Employees
June 1996: "Ligand
Docking
from an Infinite 3D Database", was presented at the Fourth
International Conference on Chemical Structures, Noordwijkerhout
(Netherlands)
April
1996: "HIPPO:
A
Program
for
Prediction, visualisation and Analysis of Receptor-Ligand Interactions",
was presented at the MGMS meeting on Molecular Interactions, York (UK)
March
1996: "Computational
Methods
for Ligand Design and Combinatorial Chemistry", was presented
at
the symposium of the Society for Medicines Research on New Technologies
in Drug Discovery, Stevenage (UK)
January
1996: The "Visualisation
in the
SPROUT
molecular design program", was presented at the 1st Pacific
Symposium on Biocomputing, Interactive Molecular Visualisation session,
Hawaii (USA)
May
1995: "De Novo
Ligand Generation and
Docking", was presented at the 36th Buffalo Medicinal
Conference,
Buffalo, NY (USA)
Aug 1995: "(Chem)DeTEX
automatic generation of a markup language description of (chemical)
documents from bitmap images.",
by Aniko Simon et.al. was presented at the Third International
Conference on Document Analysis and Recognition, ICDAR 1995, August 14
- 15, 1995, Montreal, Canada, Volume I. IEEE Computer Society, 1995
3rd ICDAR 1995: Montreal, Canada
Nov.
1994: at the First
Electronic
Computational Chemistry Conference.: "A Software Toolkit
for de Novo
Ligand Design" was presented in an electronic paper.
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