Course Offerings: Waterloo

The objective of this course is to provide an introduction to strategies for design of drug candidates, including structure-based and ligand-based drug discovery.  It builds upon molecular modelling principles introduced in CHEM 340 and will apply them to specific problems in drug design. Specific topics includes molecular modelling, and molecular dynamics using molecular mechanics principles, molecular docking and virtual screening of drug molecules to target proteins, computational ...

This course covers the advanced theory of NMR spectroscopy, including energy level, vector model, density matrix and product operator formalism. Among the topics discussed are: • Basics of NMR spectroscopy • Spectrometer hardware • Energy level description of NMR spectroscopy • The vector model in NMR • Density matrix-based description of NMR • The product operator formalism and its application for analyzing pulse sequences. • ...

Deep learning frameworks are rapidly advancing chemistry by enabling generalizable in silico predictions of numerous chemical quantities. From the accurate prediction of protein folding from only FASTA strings to generative networks that can successfully propose novel drugs to near-instantaneous prediction of molecular HOMO-LUMO gaps, deep learning models are now impacting nearly every domain of chemistry. In this course, students will be exposed to the different deep learning ...

Course objectives: 1. To gain an understanding of the general principles underlying various aspects of selectivity in organic synthesis 2. To learn specific synthetic methods and strategies used in modern organic synthesis 3. To gain a working (theoretical) knowledge of how to plan and execute synthetic routes to target organic molecules Week Topic Chapter 1 Selectivity in synthesis: regioselectivity, stereoselectivity and chemoselectivity 33, 34 2 ...

Basic definitions: Monomers, polymers, polymerization reactions. Polymer structure, nomenclature. Molecular weight distributions and average molecular weights. Chain conformations: End-to-end distance, radius of gyration, molecular dimensions, excluded volume. Molecular weight measurements: Colligative properties, osmometry, light scattering, viscosity, gel permeation chromatography. Step-growth polymerization. Types of reactions. Reactivity, kinetics. ...

The course starts with an introduction to the design and synthesis of polymers with define chemical structures. A number of polymerization techniques will be descried briefly, including anionic, living free radical and migration insertion polymerizations. The principles guiding self-assembly behaviour of block copolymers and other building blocks will be discussed, followed by the material applications of the assembled polymeric ...

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The objective of this course is to introduce students to different aspects of the structure of nanoscale materials (crystal, surface, and electronic structure) from the interdisciplinary point of view. The first part of the course will focus on the surfaces and interfaces, as an integral part of condensed phases, pertaining to nanoscience and nanotechnology. Due to the reduced sizes of nanostructures, ...

Synthesis of polymers with well-defined structures in terms of their architectures, chemical compositions, molecular weight etc. is a major concern of polymer chemistry. A number of polymerization techniques, such as anionic polymerization, living free radical polymerization, ring opening metathesis polymerization, have been developed and intensively researched in recent years. Consequently, polymer structure and property engineering has become possible, which extend the scope of material ...