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Dr. Uzma Habib
Assistant Professor
Department of Computational Sciences

RCMS
National University of Sciences and Technology (NUST)
Research Center of Modeling and Simulation(RCMS), Academic-I Building, NUST Campus, H-12, Islamabad Pakistan
Tel : +92-51-9085-5735

Specialization
Computational Chemistry

Education
PhD in Computational Inorganic Chemistry

  • A dedicated and results oriented with a successful background in the field of Inorganic Chemistry.
  • Ability to determine the reaction mechanisms of enzymes and proteins using DFT methods.
  • Good interpersonal skills with an emphasis to team work and collaborate productively with application scientists.
  • Ability to present results in project and group meetings, and seminars.
  • Willingness and ability to quickly learn essentials of new fields.
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  • ​Theoretische Modellierung aktiver Zentren von molybdänabhängigen Enzymen (Molecular modeling on active sites of molybdenum dependent enzymes) under PD. Dr. Matthias Hofmann, Ruprecht-Karls-Universität Heidelberg, Inorganic Chemistry Institute Germany.
  • Synthesis and structural characterization of transition metal complexes with N-donor ligands with Dr. Amin Badshah, Chemistry Department, Quaid-e-Azam University, Islamabad, Pakistan.
  • The catalytic effect of calcium carbonate on the cracking of polyethylene with Dr. Rasul Jan and Dr. Jasmin Shah, Chemistry Department, Peshawar University, Pakistan
  •  

    MS Students:

  • Malik Zaheer Ahmed (2016-Current). Computational studies on trimethoprim and Sulfamethoxazole binding behaiour with Dihydrofolate Reduactse. (MS)
  • Faheem Jan (2016-Current). DFT study on reaction mechanism of Arsenite Oxidase. (MS)
  • Mahum Riaz (2015). DFT study on reaction mechanism of Acetylene Hydratase from Pelobacter Acetylenicus. (MS)

  • Application Areas:

     
     
     


     








     

  • ​Uzma Habib, Matthias Hofmann, “Effect of Molybdenum and Tungsten on the reduction of nitrate in Nitrate Reductase, a DFT study”, Chemistry Central Journal, 2017, Volume 11, Number 35, Pages 1 -12.
  • Uzma Habib, Amin Badshah, Ulrich Flörke, Rizwana Aleem Qureshi, Bushra Mirza, Nazar-ul-Islam, Azeem Khan, “Synthesis of (2, 4-diamino-5-(3’, 4’, 5’-trimethoxybenzyl) pyrimidine Copper (II) complex at 20-25°C and its structural characterization”, Journal of Chemical Crystallography, 2009, Volume 39, Number 8, Pages 607-611.
  • Uzma Habib, Amin Badshah, Ulrich Flörke, Rizwana Aleem Qureshi, Bushra Mirza, Nazar-ul-Islam, Azeem Khan, “Synthesis and structural characterization of (2, 4-diamino-5-(3’, 4’, 5’-trimethoxybenzyl) pyrimidine Copper (II)) complex”, Journal of Chemical Crystallography, 2009, Volume 39, Number 10, Pages 730-734.
  • Uzma Habib, Matthias Hofmann, “DFT study on the ethylbenzene dehydrogenase enzyme”, TO BE SUBMITTED.
  •  
    Assistant Professor    Research Centre for Modeling & Simulation, National University of Sciences & Technology, Pakistan    Aug.2013-Todate

    Curriculum Development:

  • Designed and get approved from Academic Council of NUST “Computational Chemistry” Specialization Stream in MS/PhD Computational science & Engineering program at RCMS
  • Designed and get approved from RCMS Faculty Board of Studies “MS Computational Life Science” Program
  •  

    Designed, developed and taught following graduate level courses:

    ​No. Course Code​ Course Title​ ​Credit Hours ​Offering Count
    ​Design Developed​ Taught​
    ​1 ​CSE-876
    ​Biochemistry
    ​Mar-00 ​6 X X
    ​2 CH-807 ​Coordination Chemistry Mar-00 ​1 X X
    ​3 CSE-878 ​Computational Chemistry Mar-00 ​- X
    ​4 CSE-892 ​Organometallics Mar-00 ​- X
    ​5 CSE-915 ​Modeling of Molecular properties Mar-00 ​1 X X X
    6
    CSE-916 ​Betals in Biological Systems Mar-00 ​1 X X X
     

    Offered special lectures / seminars/ workshops on following topics:

  • Bioenergetics
  • Membrane Biochemistry
  • Computational Methods
  • Biochemical Signaling
  • Gene Expression and Replication
  • Hands-on workshop on SPDB Viewer and Gaussian 09

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  • Three months internship in Cirin Pharmaceuticals (Pvt.) Ltd.
  • More than 3 years experience of supervising/assisting undergraduate chemistry students during lab work in Heidelberg University.
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