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Computational Biophysical Chemistry Group

S.N.B.N.C.B.S

Announcements

Under active development

About Us

Welcome to SCLab

The broad area of our research is computational molecular biophysics and theoretical physical chemistry. The primary goal is to employ state of the art computational methodologies primarily based on statistical mechanics to solve realistic problems in the interdisciplinary areas of chemistry, physics and biology.

Overall, we take an approach of molecular thermodynamics to connect molecular interactions and dynamics to their function and properties. We work on a wide range of problems starting from small molecules (as small as water!) to large biomolecular assemblies and self-assembly of amphiphilic molecules.

Research

Major Research Interests

Our research centers on computational molecular biophysics and theoretical physical chemistry, leveraging advanced computational methods rooted in statistical mechanics to solve complex interdisciplinary problems across chemistry, physics, and biology. We use molecular thermodynamics to link interactions and dynamics with function and properties, investigating topics from small molecules to large biomolecular assemblies. Our key areas of focus include (bio)molecular recognition and signaling, water-mediated interactions and hydrophobic effects, the properties of interfacial and confined water, protein misfolding and aggregation, nucleation in phase transitions like gas hydrates, enhanced sampling for rare event acceleration, and free energy calculations.

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(Bio)molecular recognition and signalling

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Properties of interfacial and confined water

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Nucleation and growth in phase transition
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Protein misfolding and aggregation
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Machine Learning in molecular dynamics
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De-NOVO Drug design and Property prediction
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Open positions

Join Us!

We are looking for bright and motivated students who are curious to unravel the mysteries of nature from a molecular point of view! Interest in physical chemistry, chemical physics, biophysics, statistical mechanics and programming are desirable.

PhD. positions

For the admission process in our centre, please consult the official admission page.

Postdoctoral positions

If you are looking for a postdoctoral researcher position, please visit: Advanced Postdoctoral Research Programme (APRP)

Project Students

Short term project position or postdoctoral research positions might open up from time to time. Please feel free to directly contact us (sumanc@bose.res.in) if you are interested.

Colaborators

National/international colaborators