Iwona E Weidlich

aboxax@r.postjobfree.com://iwona-weidlich.comCOMPUTATIONAL CHEMIST

Professional Overview

Over ten years of extensive multidisciplinary research experience which easily

transitions into

industry. Enjoys working in a collaborative team environment. Focus on the design and

development of drugs that selectively target DNA and inhibitors of signaling and

metabolic

pathways important to disease progression and survival. Extensive experience in applying

screening approaches, docking, data-mining of large-scale high-throughput screening (HTS)

databases as well as concomitant development of large combinatorial libraries. Medicinal

chemist with competence in drug synthesis and drug repositioning.

RELEVANT EXPERIENCE AND ACCOMPLISHMENTS

Computational Drug Design Systems, LLC (CODDES) August 2011-PresentFounder & Lead Scientist, Rockville, MD

. Identified dually active inhibitors in the field of HIV-HCV co-infection.

. Applied medicinal chemistry, drug repositioning, QSAR modeling and machine learning

techniques to advance drug discovery pipeline.

. Participated in multiple projects with academia and government institutions.

National Institutes of Health, NCI; Guest ResearcherOctober 2010-Present

Chemical Biology Laboratory (Lab Chief: Joel P. Schneider)

CADD (Dr Marc C. Nicklaus s Group), Frederick, MD

. Was responsible for management and analysis of huge amounts of biological data to

identify

genes to better dissect the pathways accountable for small compound activity and

understand the network of efficacy.

UMBC; Research Associate/Lecturer (Faculty) October 2010-July 2012

Department of Chemistry and Biochemistry, (Lab. Chief: Ian Thorpe), Baltimore, MD

. Found a new anti-HCV indication for a compound currently used for hypertension

treatment.

. Supervised graduate students. Taught chemistry laboratories with lecture and improved

student s academic performance.

National Institutes of Health, NCIOctober 2005-September 2010Postdoctoral Fellow

Laboratory of Medicinal Chemistry (Lab Chief: Victor E. Marquez)

CADD (Dr Marc C. Nicklaus s Group), Frederick, MD

. Designed new, more powerful Tdp1 inhibitors which work synergistically and selectively

in

cancer cells. Tdp1 work published in Bioorganic and Medicinal Chemistry was the first

publication on a dedicated in silico approach to find Tdp1 inhibitors.

. Contributed to designing new powerful Shc homology 2 (SH2) domain-binding inhibitors

by conducting a molecular dynamic simulations for SH2 domains: tetramer peptide peptoid

hybrids exhibiting up to 40 fold increase in affinity.

Iwona E. Weidlich 2

. Facilitated the development of program OSRA (Optical Structure Recognition

Application),

which is used by the organizations such as European Patent Office and International

Union of Crystallography. Most recently program OSRA was used in IBM Watson project.

. Participated in multiple projects with NCI s Chemical Biology Consortium (CBC) designed

to

identify compound leads for pre-clinical development in the area of cancer.

Poznan University of Medical Sciences, PolandOctober 1999 - September 2005Research Assistant and LecturerDepartment of Chemical Technology of Drugs, Pharmacy Department

. Discovered new N-substituted nitroimidazole derivatives of nitrogen mustard with

positive

cytotoxic activity in vitro against cancer cell lines and elucidated molecular mode of

action.

Core Qualifications

Skills: Unix/Linux, Oracle and MySQL

Software Tools (including, but not limited to): database systems, Matlab/R, Perl, Tcl,

RDkit, OpenBabel, Accelrys Pipeline Pilot, Python, and C++.

CACTVS, Sprout, ADMET Predictor, Teaching and mentoring

GastroPlus, ClassPharmer, Discovery Studio, Team & project leadership

Gold, Glide, AutoDock, MOE, Sybyl, Insight II, Scientific writing

Schrodinger suite, Gaussian, GAMESS,

PASS, GUSAR, CHARMM, VMD, NAMD,

Amber, Gromacs, PyMol, BLAST, Ariadne

Pathway Studio, Ingenuity.

Techniques and Methods: Computational

: Modern machine learning methods, SAR/QSAR,

ADME/Tox prediction, DFT, molecular mechanics, molecular dynamics, structure-based and

ligand-based virtual screening, diversity analysis and library design, docking (protein-

ligand

and protein-protein), pharmacophore analysis, similarity search (e.g. shape similarity),

homology modeling, binding affinity/free energy prediction, protein/ligand solvation

methods,

chemical and biological data mining, statistical methods, high performance computing

(HPC),

computational analysis of biological networks, knowledge of "omics" methods, protein

sequence

analysis. Laboratory: Organic synthesis, Column Chromatography, NMR/MS spectra analysis,

HPLC.

EDUCATION

University of Medical Sciences, Poznan, Poland

Department of Chemical Technology of Drugs; Pharmaceutical Sciences; PhD

Poznan University of Technology, Poland

Chemical Technology, Chemical Engineering, Organic Chemistry; M.Sc

Pedagogical Studies; B.S

AWARDS

Foundation for Polish Science (2004)

Individual

Scientific Award, University of Medical Sciences, Poznan, Poland (2003)

NIH Intramural Research Training Award (2005-2010)

Iwona E. Weidlich

3

FUNDING

NSF (Directorate for Engineering Industrial Innovation and Partnerships; Small Business

Innovation Research Program Phase I Solicitation FY-2013 (SBIR) (Pending)

Foundation for Polish Science, Grant 3P05D03523 (2002-2005)

PROFESSIONAL ASSOCIATIONS

American Chemical Society

American Association for Cancer Research

European Association for Cancer Research

Biophysical Society

Association for Women in Science

Chemistry and Structural Biology Faculty Membership at the National Institutes of Health

Reviewer for the Innovative Economy Operational Program, part of the National Strategy

Reference Framework (NSRF)

Status in the USA: Permanent Resident

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