Conference Proceedings

Kumar S., Jain A*.Systematic Molecular Modelling Study to Explore the Nature's Arsenals against Alzheimer's Disease. In the International Conference on Integrative Chemical Science for Health and Environment (ICHE-2023) at Deshbandhu College, University of Delhi, Delhi, October 6-8, 2023.

Modak C., Gaykwad B., Jain A*. A Systematic Investigation to Engineer short ECM Hotspot- motifs for Designing of Scaffolds for Tissue Engineering. In the International Hybrid Conference on Nano Structured Materials and Polymers (ICNP 2023) at  Mahatma Gandhi University, Kottayam, Kerala, May 12-14,2023.

Panda M., Jaiswal E., Globisch C., Jain A*. Integrating design and optimization of potent symmetric anticancer molecules targeting PKM2 with insights on Post Translational Modifications governing its structural dynamics. In the National Bioengineering Conference (NBC-2022), NIT Rourkela,  December 22-23, 2022.

Ash A., Chakravarty M., Sunkaria A., Jain A*. Don't Forget About Alzheimer's: Can Neuropeptides be the New Therapeutic Approach ? In the National Bioengineering Conference (NBC-2022), NIT Rourkela,  December 22-23, 2022.

Jaiswal E., Globisch C., Jain A*. Knowledge-driven design and optimization of potent symmetric anticancer molecules: A case study on PKM2 activators. In the 27th ISCB International Conference (ISCBC-2022) at Birla Institute of Technology Mesra, Ranchi, November 16-19, 2022.

Sinha T., Jain A*. Design and characterization of Peptide based Functional Biomaterial for Bone Tissue Regeneration. In international online conference on Nano materials (ICN 2021), Mahatma Gandhi University, Kottayam, Kerela, India, Wroclaw University of Technology, Poland, Gdansk University of Technology, Poland and Wuhan University, China. April 9-11, 2021.

Sinha T., Jain A*. Peptide-based Scaffold for Tissue Engineering. In International e-Conference on Covid-19: Challenges and Opportunities in Pharmaceutical Research, Institute of Pharmacy, Nirma University, Ahmadabad, Gujarat, India and Indrashil University, Mahesana, Gujarat, India. March 18-19, 2021.

Jaiswal E., Globisch C., Jain A*. In-silico design and optimization for potent anti-cancer molecules targeting Pyruvate Kinase M2 - a molecular modelling study. In International e-Conference on Covid-19: Challenges and Opportunities in Pharmaceutical Research, Institute of Pharmacy, Nirma University, Ahmadabad, Gujarat, India and Indrashil University, Mahesana, Gujarat, India. March 18-19, 2021.

Deka R., Singh S., Jain A*. Virtual Screening, Drug Likeness and Toxicity Study of Molecules Targeting Surface Receptor of Osteosarcoma Cells. In International Conference on Infectious Diseases and Immunopathology, IDIP 2021, Savitribai Phule Pune University, Pune, India. April 22-24, 2021.

Frozan F., Singh S., Jain A*. In Silico Evaluation of Natural Products for Therapeutics Application for Osteoporosis. In International e-Conference on Covid-19: Challenges and Opportunities in Pharmaceutical Research, Institute of Pharmacy, Nirma University, Ahmadabad, Gujarat, India and Indrashil University, Mahesana, Gujarat, India. March 18-19, 2021.

Sinha T., Jain A*. Design and characterization of Peptide based Functional Biomaterial for Bone Tissue Regeneration, in International e-conference on Covid-19: Challenges and Opportunities in Pharmaceutical research, 7th Annual Synposium BSSE, IISC Bangalore. February 19-20, 2021.

Jain A., Mishra N., Globisch C., Verma S., Peter C. Morphology control in peptide nanostructures: Multiscale simulation study of penta peptide aggregation. In the Biophysical Society satellite meeting at Berlin, Germany. August 25-29, 2017.

Jain A., Mishra N., Globisch C., Verma S., Peter C. Multiscale simulation study of penta peptide aggregation: From atomistic details to a mechanistic interpretation. In the 11th European Biophysics Congress at Edinburgh, Scotland. July 16-20, 2017.

Jain A., Mishra N., Globisch C., Verma S., Peter C. A combined atomistic and coarse grained simulation study of penta peptide aggregation: From atomistic details to a mechanistic picture. In the CECAM workshop on multiscale modeling of biomolecular aggregation and protein-membrane interactions in amyloid diseases at Lugano, Switzerland. July 11-13, 2016.

Jain A., Jochum M., Peter C. Simulations of amphiphilic peptides reveal factors governing mineralization at interfaces. In the 10th European Biophysics Congress at Dresden, Germany . July 18-22, 2015.

Jain A., Jochum M., Peter C. Molecular simulations of aggregates of amphiphilic peptides at the air-water surface reveal factors governing mineralization. In the Biophysical Society Satellite meeting at Istanbul, Turkey. September 10-14, 2014.

Jain A., Sankararamakrishnan R. Non-Covalent Interactions Involving Aromatic Residues in Protein Structures: Stability and Dynamics in Membrane and Globular Proteins using Molecular Dynamics Simulations. In Annual Meeting of Biophysical Society at San Francisco, CA, USA. February 20-24, 2010.

Jain A., Sankararamakrishnan R. Non covalent interactions involving aromatic residues in protein structures: stability and dynamics in membrane and globular proteins using molecular dynamics simulations. In the International conference on Super Computing SC-09 at Portland, OR, USA. November 14-20, 2009.

Jain A., Sankararamakrishnan R. Stability of non-covalent interactions involving aromatic residues in protein structures: Comparison with conventional hydrogen bonds using molecular dynamics simulations. In the International conference on Foundation of Molecular Modeling and Simulation FOMMS-2009 at Blaine, WA, USA. July 12-16, 2009.

Jain A., Sankararamakrishnan R. Lone Pair···π Interactions Between Water Oxygen and Aromatic Amino Acids: Ab initio Studies on Compounds Based on High-Resolution Protein Structures and Model Compounds. In a symposium on International Symposium on Interface Between Chemistry and Biology at IISc and NCBS Bangalore. February 17-19, 2009.

Jain A., Sankararamakrishnan R. Aromatic-Lone Pair interactions in protein structures. In conference on International Conference in Bioinformatics INCOB 2006 at New Delhi. December 18-20,  2006.

Jain A. Structure and Dynamics of Biomolecules. In the workshop on in-silico Analysis of Biomolecules & Drug Designing at Biotech Park, Lucknow. November 6-8, 2008.

Jain A. Bioinformatics for College Teachers at IIT Kanpur. April 4-8, 2005.

Dr. Alok Jain was invited to speak on "Can Short ECM Hotspot-motifs engineered into Scaffolds for Tissue Engineering Applications? A Computational Perspective" at the ERB-SSR Sponsored Faculty Development Workshop on Paradigms of Wound Management: From Nature to Bench at Department of Pharmaceutical Sciences & Technology, BIT Mesra, Ranchi, March 21, 2024.

Dr. Alok Jain was invited to speak on "Incorporating Compelling Computational Approaches for Design, Optimization and Predication of Bioactivity in Targeted and Potent PKM2 Modulators for Cancer Therapy" at the XIIth International Conference of Indian Academy of Biomedical Science (IABSCON- 2024) at AIIMS Patna, February 23-25,2024.

Dr. Alok Jain was invited to speak on "Can Short ECM Hotspot-motifs engineered into Scaffolds for Tissue Engineering Applications ?" at the 28th ISCB International Conference (ISCBC-2024) at Marwadi University, Rajkot, January 8-10,2024.

Dr. Alok Jain was invited to speak on "Integrating intriguing Computational Strategies to Design, Optimize and Predict the Bioactivity of Targeted and Potent PKM2 Modulators" at the National Conference on Recent Trends in Biosciences, Biotechnology and Bioinformatics at Berhampur University, November 21-22, 2023.

Dr. Alok Jain was invited to speak on "Atomistic insight into peptide-based nanostructure formation: A computational perspective" at the 2nd International Conference on Recent Trends in Natural Sciences at University of Education Jauharabad Campus, Punjab Pakistan,  May 3-4, 2023.

Dr. Alok Jain was invited to speak on "Theoretical and Practical Aspects of Molecular Docking and Homology Modeling" at the National workshop on “Perspectives of Big Data Analysis in Biological Sciences" at Central University of Rajasthan,  March 27-29, 2023.

Dr. Alok Jain was invited to speak on "Combining intriguing Computational Approaches to Design, Optimize and Predict the Bioactivity of highly selective and potent PKM2 Modulators" at the National Bioengineering Conference (NBC-2022), NIT Rourkela,  December 22-23, 2022.

Dr. Alok Jain was invited for demonstration of "GROMACS Simulation Suit –An Overview", at  a workshop on Advanced Analytical and Simulation Techniques in Chemical Engineering Applications, Birla Institute of Technology Mesra, Ranchi. November 21-27, 2022. 

Dr. Alok Jain was invited to speak on "A riveting combination of various computational approaches to design, optimize and predict the bioactivity of highly selective and potent PKM2 modulators" at the 27th ISCB International Conference (ISCBC-2022) at Birla Institute of Technology Mesra, Ranchi, November 16-19, 2022.

Dr. Alok Jain was invited to speak on "A combined atomistic and coarse-grained simulation study of peptide-based nanostructures: From atomistic details to mechanistic interpretation" at the Bioengineering 2020 Meeting at NIT Rourkela, December 10-11, 2020.

Dr. Alok Jain was invited to speak on "Morphology control in peptide nanostructures: Multiscale simulation study of penta-peptide aggregation", at the INYAS National Frontiers of Science (NatFoS) Meeting at Jaipur. November 6-8, 2019.