PhD candidate specializing in computational biophysics, experienced in advanced molecular dynamics simulations (OpenMM, REST) and structural biology. Expertise in systematically modeling peptide aggregation phenomena, with a keen interest in integrating AI-driven methods for predictive and physicochemically-informed pipeline development.
Overview
8
8
years of professional experience
Work History
Application Specialist – Material Characterization
Anton Paar India
06.2019 - 06.2021
Conducted comprehensive data analysis and generated scientific reports for pharmacological and nano material industries.
Conducted various workshops and seminars on technical introspects and user guided applications of SAXS (Small Angle X-ray Scattering)
Webinars on informative aspects of Biomolecular and material characterization properties depictable by SAXS, AFM (Atomic Force Microscopy)
Conducted trainings and workshops thereby providing custom insights for Manufacturing unit in relation to customer requirements specific to sample type.
Performed a thorough analysis of the current version of SAXS for the company and all available in market, identifying areas for improvement and contributing to its optimization (mainly sample handling and storage)
Project Fellow
IMTECH (Institute of Microbial Technology), CSIR (Council of Scientific Research), India
01.2016 - 01.2019
Worked under USAID and Bill Melinda Gates Foundation sponsored project for 3 years to correlate hair scattering profile with presence/absence of active tuberculosis/cancer.
Patent with ref no “WO2019186577A1”- “A non-invasive and remote method to screen cancer”, where protein and lipid content is mapped using the hair– both in chemical constitution and in quantity, using fibre scattering (SAXS).
The invention is for screening of cancer by performing and analyzing small angle X-ray (SAXS) scattering intensity profile from single hair in automated manner.
Pivotal role included developing tools to normalize the data w.r.t cross-sectional thickness of hair which enabled to identify cancer types.
Designed and executed studies via SAXS; applied the attained knowledge to understand the dynamic behavior of antibodies in solution and role of its shape/structure change and it’s regulatory mechanism by different ligands which may be useful in developing the blocking/immunosuppressive/functional agents or enhancers.
Explored phenotype and genotype translation using bioinformatics tool - cancer research.
Understanding ensemble of each disordered state of the interface interactions of IDPs (dynamic interactions). Exploring bio-molecular basis of dynamic interaction of small molecule–IDP by biophysical techniques such as SAXS
Project Assistant
IMTECH (Institute of Microbial Technology), CSIR (Council of Scientific Research), India
01.2013 - 01.2014
Conducted comprehensive analysis of PDB depositions to elucidate correlations between metal binding and fold symmetries evident in crystallographic datasets.
Worked with protein structures and their metal coordination as cofactor.
Designed software programs for structure and function analysis.
Build dataset for proteins with pooled information on their functional behavior due to metals.
Studied factors such as fold-symmetry which could help in engineering and facilitate metal binding in future for drug designing and inhibition.
Education
Bachelor of Science - Bioinformatics (Honors)
Panjab University
05.
Master of Science - Systems Biology and Bioinformatics
Saini, M.; Upadhyay, N.; Dhiman, K.; Manjhi, S. K.; Kattuparambil, A. A.; Ghoshal, A.; Arya, R.; Dey, S. K.; Sharma, A.; Aduri, R.; Thelma, B. K.; Ashish, F.; Kundu, S., ARL15, a GTPase Implicated in Rheumatoid Arthritis, Potentially Repositions Its Truncated N-Terminus as a Function of Guanine Nucleotide Binding., International Journal of Biological Macromolecules, 2024, 254, 127898, https://doi.org/10.1016/j.ijbiomac.2023.127898
Kumar, I.; Sagar, A.; Dhiman, K.; Bethel, C. R.; Hujer, A. M.; Carifi, J.; Ashish; Bonomo, R. A., Insights into Dynamic Changes in ADC-7 and P99 Cephalosporinases Using Small Angle x-Ray Scattering (SAXS)., Journal of Biomolecular Structure and Dynamics, 2023, 1–13, https://doi.org/10.1080/07391102.2023.2240427
Chauhan, N. K.; Anand, A.; Sharma, A.; Dhiman, K.; Gosain, T. P.; Singh, P.; Singh, P.; Khan, E.; Chattopadhyay, G.; Kumar, A.; Sharma, D.; Ashish; Sharma, T. K.; Singh, R., Structural and Functional Characterization of Rv0792c from Mycobacterium Tuberculosis: Identifying Small Molecule Inhibitor against HutC Protein., Microbiology Spectrum, 2023, 11, 1, https://doi.org/10.1128/spectrum.01973-22
Goel, N.; Dhiman, K.; Kalidas, N.; Mukhopadhyay, A.; Ashish, F.; Bhattacharjee, S., Plasmodium Falciparum Kelch13 and Its Artemisinin‐resistant Mutants Assemble as Hexamers in Solution: A SAXS Data‐driven Modelling Study., The FEBS Journal, 2022, 289, 16, 4935–4962, https://doi.org/10.1111/febs.16378
Chauhan, N. K.; Anand, A.; Sharma, A.; Dhiman, K.; Gosain, T. P.; Singh, P.; Khan, E.; Kumar, A.; Sharma, D.; Ashish; Sharma, T. K.; Singh, R., Structural and Functional Characterization of Rv0792c from Mycobacterium Tuberculosis: Identifying Small Molecule Inhibitors against GntR Protein., 2021, https://doi.org/10.1101/2021.09.17.460839
Kumar, R.; Deshpande, S.; Sewall, L. M.; Ozorowski, G.; Cottrell, C. A.; Lee, W.-H.; Holden, L. G.; Richey, S. T.; Chandrawacar, A. S.; Dhiman, K.; Ashish; Kumar, V.; Ahmed, S.; Hingankar, N.; Kumar, N.; Murugavel, K. G.; Srikrishnan, A. K.; Sok, D.; Ward, A. B.; Bhattacharya, J., Elicitation of Potent Serum Neutralizing Antibody Responses in Rabbits by Immunization with an HIV-1 Clade C Trimeric Env Derived from an Indian Elite Neutralizer., PLOS Pathogens, 2021, 17, 4, e1008977, https://doi.org/10.1371/journal.ppat.1008977
Singh, P.; Khurana, H.; Yadav, S. P.; Dhiman, K.; Singh, P.; Ashish; Singh, R.; Sharma, D., Biochemical Characterization of ClpB Protein from Mycobacterium Tuberculosis and Identification of Its Small-Molecule Inhibitors., International Journal of Biological Macromolecules, 2020, 165, 375–387, https://doi.org/10.1016/j.ijbiomac.2020.09.131
Gaurav, S.; Ranjan, R.; Kuldeep, J.; Dhiman, K.; Mahapatra, P. P.; Ashish; Siddiqi, M. I.; Ahmed, S., The N-Terminus Region of Drp1, a Rint1 Family Protein Is Essential for Cell Survival and Its Interaction with Rad50 Protein in Fission Yeast S.Pombe., Biochimica et Biophysica Acta (BBA) - General Subjects, 2021, 1865, 1, 129739, https://doi.org/10.1016/j.bbagen.2020.129739
Ansari, M. Y.; Batra, S. D.; Ojha, H.; Dhiman, K.; Ganguly, A.; Tyagi, J. S.; Mande, S. C., A Novel Function of Mycobacterium Tuberculosis Chaperonin Paralog GroEL1 in Copper Homeostasis., FEBS Letters, 2020, 594, 20, 3305–3323, https://doi.org/10.1002/1873-3468.13906
Dhiman, K.; Nath, S. K.; Ashish., Monomeric Human Soluble CD4 Dimerizes at Physiological Temperature: VTSAXS Data Based Modeling and Screening of Retardant Molecules., Journal of Biomolecular Structure and Dynamics, 2020, 39, 11, 3813–3824, https://doi.org/10.1080/07391102.2020.1771422
Workshops And Certificates
SAXS data analysis workshop, Anton Paar, Gurgaon, 2018
Workshop on 'Design, Analysis and Interpretation of Diagnostic Test Studies', PHFI, Gurgaon
Workshop on Modelling and Drug Designing, 2011
Certificate of Participation in SPSS Workshop, 2010
Training on TOOLS AND TECHNIQUES IN BIOINFORMATICS
Google AI essentials
Projects Under Stem
Instructor, 2023, Spearheaded ~20 students from high school under the program to invigorate their interest in sciences by introducing basic concepts of biochemistry in nanoscience.
Skills Under Stem
3 Years of experience with the role of Teaching Assistant in the Chemistry Department: Instructor for 1251L and 1252L. General Chemistry Lab teaching
Worked as Secretary to represent grad club (ANGS) at GPSG UNC Charlotte
Patent Publications
WO2019186577 - A NON-INVASIVE AND REMOTE METHOD TO SCREEN CANCER, https://patentscope.wipo.int/search/en/detail.jsf?docId=WO2019186577, Ashish, SAGAR, Amin, BADMALIA, Maulik Dinesh, DHIMAN, Kanika, YADAV, Shiv Pratap Singh, 11/03/21, 01/24/23, US 16958851
Research Focus
Computational Structural Biology
Biophysical characterization
Nanoscale sciences
Protein dynamics
Molecular Dynamics
Protein-protein Interaction
Bioinformatics
Systems Biology
Molecular Biophysics
Timeline
Application Specialist – Material Characterization
Anton Paar India
06.2019 - 06.2021
Project Fellow
IMTECH (Institute of Microbial Technology), CSIR (Council of Scientific Research), India
01.2016 - 01.2019
Project Assistant
IMTECH (Institute of Microbial Technology), CSIR (Council of Scientific Research), India
01.2013 - 01.2014
Master of Science - Systems Biology and Bioinformatics