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| ResearcherID: [http://www.researcherid.com/rid/A-5341-2010 A-5341-2010]
| | https://maldescientific.com/ |
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| [[Image:Alpesh.JPG|left|200px]]
| | https://atb.uq.edu.au/ |
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| | http://orcid.org/0000-0002-8181-1619 |
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| '''Alpeshkumar MALDE (ALPESH MALDE)''' <br>
| | http://www.researcherid.com/rid/A-5341-2010 |
| Automated Topology Builder (ATB) and Repository <br>
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| http://compbio.biosci.uq.edu.au/atb/ <br>
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| == Research Interests ==
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| * Small molecule and biomolecular modeling: Molecular dynamics (MD) simulations, free energy (FE) and quantum mechanical (QM) calculations <br>
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| * Force field for ligand molecules: Automated force field Topology Builder [http://compbio.biosci.uq.edu.au/atb/ ATB] and Repository <br>
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| * Ligand Binding thermodynamics: Binding modes and affinities of ligands, refinement of ligands in X-ray crystal structures <br>
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| * Computational method development in drug design: High throughput free energy calculations <br>
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| == Research Grants and Awards==
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| * Computational time and resources through merit allocation on National Computational Infrastructure National Facility (NCI-NF), Project n63, 2007-present,
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| * University of Queensland ResTeach Awards, 2011-2012 <br>
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| * “Automated Topology Builder: Force field parameterization and validation for heteromolecules“. University of Queensland Early Career Researcher (UQ-ECR), 2010 <br>
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| * “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 <br>
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| * “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 <br>
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| == Academic ==
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| '''PhD''' (Pharmaceutical Chemistry), Bombay College of Pharmacy, University of Mumbai, India 2008 <br>
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| '''MS (Pharm)''' (Medicinal Chemistry) National Institute of Pharmaceutical Education and Research (NIPER), India 2001 <br>
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| '''B. Pharm.''' Bombay College of Pharmacy, University of Mumbai, India 2000 <br>
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| == Positions ==
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| '''2012-present''' <br>
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| Research Fellow, MD group, School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, Australia. <br>
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| '''2009-2011''' <br>
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| ARC Australian Postdoctoral (ARC-APD) Fellow, MD group, School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, Australia. <br>
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| '''2007-2008''' <br>
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| Postdoctoral Research Fellow, MD Group, School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, Australia. <br>
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| '''2003-2006''' <br>
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| PhD Student, Bombay College of Pharmacy (University of Mumbai) <br>
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| '''2002-2003''' <br>
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| Senior Research Fellow, Dept of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Mohali, India <br>
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| '''2002''' <br>
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| Chemist, Molecular Modelling and Drug Design Lab, Dr. Reddy’s Research Foundation, Hyderabad, India <br>
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| '''2000-2001'''<br>
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| M.S. Student, NIPER, India
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| == Publications ==
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| ResearcherID: [http://www.researcherid.com/rid/A-5341-2010 A-5341-2010]
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| == Contact Details ==
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| Research Fellow <br>
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| Molecular Dynamics Group <br>
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| School of Chemistry and Molecular Biosciences (SCMB) <br>
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| Molecualr Biosciences building (#76) <br>
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| The University of Queensland <br>
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| St Lucia Campus, Brisbane, QLD 4072 <br>
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| Australia <br>
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| '''phone''': +61 7 3365 7562 <br>
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| '''Fax''': +61 7 3365 3872 <br>
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| '''email''': a.malde_at_uq.edu.au <br>
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