Dr. Alpesh Malde

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ResearcherID: A-5341-2010

Alpesh lychee.png


Alpeshkumar MALDE (ALPESH MALDE)
Automated Topology Builder (ATB) and Repository
http://compbio.biosci.uq.edu.au/atb/



Research Interests

  • Small molecule and biomolecular modeling: Molecular dynamics (MD) simulations, free energy (FE) and quantum mechanical (QM) calculations
  • Force field for ligand molecules: Automated force field Topology Builder ATB and Repository
  • Ligand Binding thermodynamics: Binding modes and affinities of ligands, refinement of ligands in X-ray crystal structures
  • Computational method development in drug design: High throughput free energy calculations

Research Grants and Awards

  • Computational time and resources through merit allocation on National Computational Infrastructure National Facility (NCI-NF), Project n63, 2007-present,
  • University of Queensland ResTeach Awards, 2011-2012
  • “Automated Topology Builder: Force field parameterization and validation for heteromolecules“. University of Queensland Early Career Researcher (UQ-ECR), 2010
  • “Development of methodology for high throughput free energy calculations in drug design Applications”. Australian Research Council (ARC) Discovery Project DP0987043, Australian Post-Doctoral fellowship (ARC-APD), 2009-2011
  • “Homology modeling of dihydroorotate dehydrogenase from Plasmodium falciparum for the purpose of designing selective inhibitors”, CSIR (Council of Scientific and Industrial Research, India), 2005-2007

Academic

PhD (Pharmaceutical Chemistry), Bombay College of Pharmacy, University of Mumbai, India 2008
MS (Pharm) (Medicinal Chemistry) National Institute of Pharmaceutical Education and Research (NIPER), India 2001
B. Pharm. Bombay College of Pharmacy, University of Mumbai, India 2000

Positions

2012-present
Research Fellow, MD group, School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, Australia.
2009-2011
ARC Australian Postdoctoral (ARC-APD) Fellow, MD group, School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, Australia.
2007-2008
Postdoctoral Research Fellow, MD Group, School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, Australia.
2003-2006
PhD Student, Bombay College of Pharmacy (University of Mumbai)
2002-2003
Senior Research Fellow, Dept of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Mohali, India
2002
Chemist, Molecular Modelling and Drug Design Lab, Dr. Reddy’s Research Foundation, Hyderabad, India
2000-2001
M.S. Student, NIPER, India

Publications

ResearcherID: A-5341-2010     

Contact Details

Research Fellow
Molecular Dynamics Group
School of Chemistry and Molecular Biosciences (SCMB)
Molecualr Biosciences building (#76)
The University of Queensland
St. Lucia Campus, Brisbane, QLD 4072
Australia
phone: +61 7 3365 7562
Fax: +61 7 3365 3872
email: a.malde_at_uq.edu.au