Susan Begg

Name:	Susan Begg
Affiliation:	Department of Chemistry
E-mail:	(only provided to users who are logged into talks.cam)
Last login:	Tue Oct 27 14:14:38 +0000 2015

Public lists managed by Susan Begg

• Centre for Molecular Science Informatics

Talks given by Susan Begg

Obviously this only lists talks that are listed through talks.cam. Furthermore, this facility only works if the speaker's e-mail was specified in a talk. Most talks have not done this.

Talks organised by Susan Begg

This list is based on what was entered into the 'organiser' field in a talk. It may not mean that Susan Begg actually organised the talk, they may have been responsible only for entering the talk into the talks.cam system.

• Crystallography & Compchem Hack Weekend 20/21 June
• Interacting with Protein Interactions
• Synergism between Theory and Experiments in Asymmetric Catalysis: Transition State Modeling for Rationalizations and Catalyst Design
• "CADD & ENAC - A bad hand at Scrabble..?"
• Visualization of Chemical Space for Medicinal Chemists
• "From fragments to target-selective ligands by reaction-driven de novo design"
• Odorant space: From chemistry to physiology
• Protein-Ligand Binding by Free Energy Simulations: Issues, Successes and Failures
• Protein-Ligand Binding by Free Energy Simulations: Issues, Successes and Failures
• On the importance of the COSMO polarization charge density for the quantification of molecular interactions in liquid phases
• Approaching protein dynamics in the post-genome era
• "Molecular Dynamics Simulations of the Influenza Virus Envelope: Complex Interplay between Membrane Proteins and Lipid Domains"
• Calculations on Tunneling by Carbon Tell Experimentalists Where to Look and What to Look For
• Why Does Cyclobutane-1,2,3,4-tetraone Have a Triplet Ground State?
• Why Does Cyclobutane-1,2,3,4-tetraone Have a Triplet Ground State?
• "Using computational methods to aid our understanding of ionotropic glutamate receptors at the molecular level"
• Enzyme dynamics, conformations and catalysis
• “Data Driven Molecular Design & Discovery”
• "Thinking (and looking) out of the box - new tricks for molecular simulation and visualization"
• "The mechanisms of solute flux through membrane channels from multi-microsecond equilibrium simulations"
• Successes and challenges in the prediction of P450 mediated drug metabolism
• "Entropy and order parameters from ensembles generated by computer simulations"
• "Dynamics of Biomolecules: from the Glass Transition to Drug Design"
• Lessons from Yeast: Drug Uptake and Systems Biology
• "New Developments in Semiempirical MO Theory for Drug and Materials Design"
• Exploring free-energy landscapes
• The power of coarse-graining in biomolecular simulations
• "Manipulating dynamics: Galilean-invariant friction and stochastic thermostats"
• "Molecular dynamics beyond molecules: principles for coarse-graining"
• "Bioactivity Mapping of Chemical Space"
• Neurotransmitter transporters: from ligand-based to systems chemical biology approaches
• Toxicity from Predicting Chemistry - Categories, Read-Across and Integrated Testing Strategies
• "Visualising and Predicting Organic Reactivity"
• “Accurate in-silico predictions can halve costs for experimental ADME Tox studies”
• '“Multi-Scale Methods for the Investigation of Biological Structures and Processes”
• Exploring chemico-biological interactions using connectivity mapping
• The bacterial outer membrane: capturing the details with molecular dynamics simulations
• Application of Informatics within Unilever
• Past, present, and future of semiempirical methods
• Challenges in rational computer aided enzyme design
• In Silico Drug discovery and molecular library focusing
• "Modelling (skin) lipid bilayers"
• "New approaches to virtual screening of molecules and reactions"
• "Precise Distance Measurements in Complex Biological Systems"
• "Chemical Biology and Chemogenomics in Drug Discovery"
• Machine like functions at the molecular level
• "Cheminformatics and Metabolism research and services at the European Bioinformatics Institute"
• Crawling Across the Web of Chemistry Using ChemSpider
• "Adventures with Field Points: virtual screening, scaffold-hopping and beyond"
• We regret that this talk has been cancelled "Structure and function of membrane transporters"
• "Calculating selectivities in homogeneous catalysis"
• Theoretical and Experimental Studies on Reactions of Organoboranes
• Towards realistic computer modeling of large condensed molecular systems
• Nanofluidics
• “SORD and open access for academics to chemical reaction data”
• “Capturing process: In silico, in laboratorio, and all the messy in-between”
• “Noise and the accurate determination of microbial diversity from pyrosequencing data”
• "Sense and Non-Sense in Drug Discovery"
• The Baeyer Villiger Reaction: Ionic or Neutral