Faculty Profile

Dr. Mahesh Kulharia
Assistant Professor
Centre for Computational Sciences
School of Basic and Applied Sciences
Central University of Punjab
Bathinda- 151001
Email Id: kulharia@gmail.com , mahesh.kulharia@cup.ac.in 
Mobile: +91-9988428856

Education :
Degree/ Certificate University /Board Year Subject/ Specialization
B. Sc. Kurukshetra University 1998-2001 Zoology, Botany, Chemistry, English, Sanskrit
M. Sc. Biotechnology Madurai Kamaraj University 2001-2003 Bioinformatics
Ph.D. “Max Planck Institute for Molecular Physiology” and “Dortmund University” 2003-2008 Protein Structural Bioinformatics
Post-doctoral fellow “Cardiovascular research institute Maastricht” (CARIM)
and “University of Maastricht”
2008-till date Protein Structural Bioinformatics
Experience :
  1. 2013-onwards Assistant Professor at Centre for Bioinformatics, CUP, Bathinda
  2. 2010-2013 Assistant Professor at Centre for Bioinformatics, MD University, Rohtak
  3. 2008-2010 Post-doctorate at Cardiovascular Research Institute Maastricht
Teaching Assignments :
  1. 2010-2013 PhD and Masters’ programme in Bioinformatics, Biotechnology, Medical Biotechnology, Agriculture Bioinformatics
  2. 2013-onwards Masters’ programme (M.Sc. and M.Phil.) in Pharmaceutical and Chemical Sciences, Biosciences, Genetic Diseases and Molecular Medicine, Human Genetics and M.Tech. in Computer Science and Technology
Research Projects :


  1. Rational design of small molecules targeting FactorVIII and membrane interaction for novel treatment of the thrombosis.
  2. Design of novel ligands to modulate Frizzled-Wingless interaction.
  3. Small molecule design for disrupting Traf6-CD40 interaction.
  4. Study of FactorVIII and membrane interaction by molecular dynamics simulation.
  5. Elucidation of mechanism of GPBP and SAP interaction.


Title Agency Period
To develop a support vector machine tool for identification of unique protein-protein interaction sites with lowest cross reactivity potential UGC 3 years
Targeting Mycobacterium marinum mel2 locus With drug like compounds: its implications for in vitro host cell interaction DBT 3 years


Professional Recognition /Awards/Scholarship :
Scholarship Tenure Authority Selection Procedure
Cardiovascular Research Institute Maastricht fellowship Apr2008 onwards Transnational University of Limburg Interview
International Max Planck Research School in Chemical biology fellowship Nov2003-Mar2008 IMPRS-CB International written exam and interview
Young Researcher Award 27th March 2009 “Tebu-bio” Life-science company Conference in Boston; organized by Harvard University
Gold Medal and Sunder lingam Award 26th March 2003 Madurai Kamaraj University Standing 1st in Academics-2001-02
Peer Recognition :
  1. Life Member of AMI
  2. Life Member of The Indian Thermodynamics Society
  3. Life member of Indian Science Congress Association
Area specializations/Research Interest :

The objective of my research group is to understand more about how molecules communicate at atomic level, with a specific focus on proteins, membranes, nucleic acids and small molecules. We explore how proteins interact with the myriad of molecules by analysing the structural data from the PDB, the literature and developing novel algorithms and software tools, which allow us to characterise interaction modes and mechanisms and navigate the interaction and non-interaction space. We investigate the conformational changes these proteins undergo during such interactions to discover how they subtle changes can lead to evolution of new mechanisms and specificities. The pragmatic goal of this research is to move from genotype to phenotype in silico. In parallel, we focus on the modulating the protein behaviour with small molecule / peptide so as to understand and control pathogenic states (for instance: thrombosis, stroke, and even some communicable diseases like tuberculosis).

Publications :

Reasearch Papers

  1. Rational design of small molecules targeting the C2 domain of coagulation factor VIII; Blood; 123; 1; 113-120; 2014
  2. Homology modeling and structural validation of tissue factor pathway inhibitor; Bioinformation; 9; 16; 808; 2013
  3. Goodpasture antigen-binding protein/ceramide transporter binds to human serum amyloid P-component and is present in brain amyloid plaques; Journal of Biological Chemistry; 287; 18; 14897-14911; 2012
  4. InCa-SiteFinder: a method for structure-based prediction of inositol and carbohydrate binding sites on proteins Journal of Molecular Graphics and Modelling; 28; 3; 297-303; 2009
  5. Information Theory-Based Scoring Function for the Structure-Based Prediction of Protein− Ligand Binding Affinity Journal of chemical information and modelling; 48; 10; 1990-1998; 2008
  6. Identification and specificity profiling of protein prenyltransferase inhibitors using new fluorescent phosphoisoprenoids; Journal of the American Chemical Society; 128; 9; 2822-2835; 2006
Research Grants :
  1. UGC (MRP) 2012-2015     Rs.   6,73,000
  2. DBT              2012-2015    Rs. 42,15,000