10 days International Bioinformatics Workshop on - Molecular Dynamics Simulation Analysis (Advanced) by Decode Life.

Registration is open for 10 days Bioinformatics Workshop by DE<code>LIFE

Fees: Rupees 1200 for Indian Participants /USD 25 for International Participants

Schedule

Date	Instructor	Topics
29 Feb,2024	Avinash	Introduction to MD Simulation Analysis Overview of Molecular Dynamics (MD) Simulations Importance of Post MD Simulation Analysis Common software tools and packages for analysis
1 Mar,2024	Avinash	Data Preparation and Cleaning Data file formats (e.g., XTC) Data preprocessing and cleaning Handling missing or corrupted data
2 Mar,2024		OFF
3 Mar,2024	Avinash	Trajectory Analysis Extracting information from MD trajectories Calculating structural parameters (RMSD, RMSF) H-Bond Calculation Center of Mass Distance
4 Mar,2024	Avinash	Free Energy Calculations Overview of free energy methods (e.g., MM/PBSA, MM/GBSA) Performing binding free energy calculations, Principal Component Analysis (PCA) Understanding PCA and its applications in MD analysis Plotting PCA
5 Mar,2024		OFF
6 Mar,2024	Suyash	Free Energy Landscape (FEL) Understanding FEL and its applications in MD analysis Plotting FEL
7 Mar,2024	Suyash	Introduction to Umbrella Sampling Theoretical Basis of Umbrella Sampling Collective Variables (CVs) and Bias Potentials Advantages and Limitations
8 Mar,2024		OFF
9 Mar,2024	Suyash	Preparing for Umbrella Sampling Defining the Reaction Coordinate Selection of CVs Generating Initial Structures Choosing Umbrella Potentials
10 Mar,2024	Suyash	Running Umbrella Sampling Simulations, Analyzing Umbrella Sampling Data Free Energy Profiles and Histograms Wham (Weighted Histogram Analysis Method) PMF (Potential of Mean Force) Calculation