Computational Biophysics — Thermodynamics & Kinetics — Hands-on

Develop an intuition for how thermodynamics and kinetics emerge from molecular structure and motion. This module links energy landscapes, rates, barriers and binding concepts to structural models and simulation outputs, giving you language and workflows to interpret mechanisms and support design decisions.

Computational Biophysics — Thermodynamics & Kinetics

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Session Index

Session 1 — Thermodynamic Foundations & Energy Landscapes Session 2 — Kinetics, Barriers & Pathways Session 3 — Binding, Stability & Conformational Change Session 4 — Biophysics Case Studies & Reporting

Session 1

Fee: Rs 29800

Thermodynamic Foundations & Energy Landscapes

Free energy, ensembles and equilibrium concepts

enthalpy vs entropy ideas microstates, macrostates and ensembles Boltzmann weights and populations

Energy landscapes and folding funnels (conceptual)

minima, barriers and transition regions rugged landscapes and frustration ideas landscape views of folding and binding

Relating structures and simulations to thermodynamics

conformations as samples from ensembles histograms and potentials of mean force (idea) basic interpretation of free energy profiles

Session 2

Fee: Rs 33800

Kinetics, Barriers & Pathways

Rate theory and barriers (intuitive view)

rate constants and activation free energy ideas transition-state concept temperature dependence intuition

Pathways between states on a landscape

multiple routes and intermediates on-pathway vs off-pathway states slow vs fast coordinates ideas

Reading kinetic hints from simulations and experiments

transition events in trajectories (concept) relaxation curves and timescales linking barriers to rates qualitatively

Session 3

Fee: Rs 37800

Binding, Stability & Conformational Change

Binding thermodynamics and selectivity (conceptual)

ΔG, ΔH, ΔS language for binding enthalpy–entropy compensation ideas relative binding and selectivity reasoning

Protein stability and folding/unfolding views

stability as free energy difference mutations and environment effects aggregation and misfolding concepts

Conformational change, allostery and coupling (summary view)

population shift vs induced fit ideas coupling between sites on a landscape interpreting shifts from structures and MD

Session 4

Fee: Rs 40800

Biophysics Case Studies & Reporting

Case studies: folding, binding and allostery

small folding domains concepts ligand binding and competition allosteric modulation examples

Summarising thermodynamic & kinetic insights for projects

plots and cartoons for landscapes tables of states, barriers and populations clear statements of mechanisms and limits

Deliverables: biophysics interpretation brief & design hints

concise concept-level report hypotheses for stabilizing/destabilizing changes questions to probe with further simulations/experiments

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Computational Biophysics Thermodynamics & Kinetics Training | Energy Landscapes, Rates & Binding Concepts

Computational Biophysics — Thermodynamics & Kinetics — Hands-on