Molecular Modeling Courses and Certifications

Introduction to Drug Discovery

This course provides an integrated overview of modern drug discovery, covering drug delivery principles, biophysical and structural methods, and computational approaches such as docking, molecular dyn

• edX
• 4 weeks, 3-4 hours a week
• Self-Paced
• Free Online Course (Audit)

Computer-Aided Drug Design

Want to know how those amazing drugs were designed? This Computer-Aided Drug Design course can satisfy your curiosity!

• XuetangX
• Self-Paced
• Free Online Course

Conformational Energy and Molecular Mechanics - Lecture 33

Explore how cyclohexane’s chair conformations and molecular mechanics reveal the strain underlying conformational energy in organic molecules.

• YouTube
• 48 minutes
• Self-Paced
• Free Video

The Royal Institution

Quantum Computing: Untangling the Hype

Experts discuss quantum computing's potential, workings, and impact on fields like cryptography and molecular modeling, separating hype from reality in this comprehensive exploration.

• YouTube
• 1 hour 33 minutes
• Self-Paced
• Free Video

NPTEL-NOC IITM

Idea of Z-Matrix

Explore the concept of Z-matrix in molecular geometry, understanding its structure and applications in computational chemistry.

• YouTube
• 11 minutes
• Self-Paced
• Free Video

MolSoft Molecules in Silico

Structure-Based Virtual Ligand Screening with ICM-Pro

2 ratings

Master structure-based virtual ligand screening techniques using ICM-Pro software, from project setup and file preparation to running screens, analyzing results, and creating hitlists.

• YouTube
• 1 hour 7 minutes
• Self-Paced
• Free Video

NPTEL-NOC IITM

Artificial Intelligence in Drug Discovery and Development

1 rating

Discover how AI revolutionizes pharmaceutical research, from molecular design to clinical trials, transforming traditional drug development processes.

• YouTube
• 2 hours 21 minutes
• Self-Paced
• Free Video

Materials Cloud

Methods for Computational Biology and Drug Discovery

Explore fundamental computational methods in physics and chemistry, presented by their creators, with insights into their development and applications.

• YouTube
• 2 hours 29 minutes
• Self-Paced
• Free Video

Materials Cloud

Time-Dependent Density Functional Theory (TDDFT) - Classics in Molecular and Materials Modelling

Explore time-dependent density functional theory with experts Eberhard Gross and Angel Rubio in this CECAM-MARVEL Classics lecture on molecular and materials modelling.

• YouTube
• 2 hours 36 minutes
• Self-Paced
• Free Video

Materials Cloud

Classics in Molecular and Materials Modelling: Spin Glasses and Constraint Satisfaction Problems

Explore spin glasses and constraint satisfaction problems with renowned physicists Parisi and Mézard, featuring simulations, algorithms, and personal insights.

• YouTube
• 2 hours 21 minutes
• Self-Paced
• Free Video

QMCPACK

Surrogate Hessian Method for Geometry Optimization - QMCPACK Workshop 2023

Explore the surrogate Hessian method for efficient geometry optimization in quantum systems, presented by Jaron Krogel at the QMCPACK Workshop 2023.

• YouTube
• 38 minutes
• Self-Paced
• Free Video

QMCPACK

New Correlation-Consistent Effective Core Potentials

Explore new correlation-consistent effective core potentials for quantum chemistry calculations, enhancing accuracy and efficiency in molecular simulations.

• YouTube
• 29 minutes
• Self-Paced
• Free Video

QMCPACK

Fostering Accuracy in Modelling Materials and Molecular Complexes with Quantum Monte Carlo

Explore quantum Monte Carlo techniques for accurate modeling of materials and molecular complexes with Andrea Zen's insights from QMCPACK Workshop 2023.

• YouTube
• 43 minutes
• Self-Paced
• Free Video

Manolis Kellis

Chemistry and Graph Neural Networks - Lecture 14

Dive into Graph Neural Networks (GNNs) and their applications in computational chemistry, exploring molecular structure analysis and chemical property prediction.

• YouTube
• 1 hour 17 minutes
• Self-Paced
• Free Video

QChemSoftware

Introduction to IQmol - 2024 Virtual Winter School in Computational Chemistry - Session 1

Crash course on IQmol: build molecules, submit calculations, analyze results. Includes overview and hands-on lab exercise for Q-Chem's graphical interface.

• YouTube
• 23 minutes
• Self-Paced
• Free Video