MARM 2022
Workshop Schedule
June 1-4, 2022
Trenton, NJ
Joseph Baker, Benny Chan, and Matthew Crowe - Program Chairs
Electrochemical Aptamer-Based Biosensors Workshop: Part A: Make Them!
Workshop Organizers: N. Arroyo, M.A. Pellitero
Science Complex Chemistry
Room C232
Time: 9:00 am - 12:00 pm
Description: Did you know that nucleic acids can reversibly bind with high specificity to different chemical targets? From ions to small molecule therapeutics, to peptides and proteins, nucleic acid oligonucleotides can achieve selective molecular recognition and be used to make electrochemical biosensors for the real-time, continuous monitoring of molecular targets. We refer to these selective oligos as aptamers and in this workshop, we will teach you how to use them to make electrochemical biosensors.
What you need:
[1] A notebook, pen, and PPE (coat and goggles).
[2] A PC laptop for data analysis, if possible. If not, we will provide one.
[3] A desire to learn how to make aptamer-based sensors.
The workshop is divided into morning and afternoon sessions. Teams of 3 attendants will be created and each will be assigned to an electrochemical workstation.
Introduction to Deep Learning in Chemistry
Workshop Organizers: M. Webb, A. White
Social Sciences Building
Room 324 NOTE ROOM CHANGE!
Time: 9:00 am - 12:00 pm
Description: This workshop will provide an overview of essential machine learning concepts and popular methods. Pedagogical practice with small-molecule data sets will be included. The workshop is open to and accessible to those at any career stage. Little to no prior experience with machine learning is expected. Regarding mathematical background, instruction and hands-on components will presume familiarity with topics in calculus and linear algebra. Hands-on portions and examples will rely on Python programming.
Finding Yourself: Identifying a career that matches your strengths and values
Workshop Organizers: B. Tweedy
Social Sciences Building
Room 130-Note Room change!
Time: 10:00 am - 12:00 pm
DEIR, labs, and skills: The upcoming 2022 ACS guidelines bachelor's degree programs and beyond!
Workshop Organizers: C. Caputo, M. Brooks, B. Chan
Science Complex Chemistry
Room C122A
Time: 10:00 am - 12:00 pm
Teaching inorganic chemistry: A live discussion
Workshop Organizers: C. Nataro
Science Complex Chemistry
Room C121
Time: 11:00 am - 12:00 pm
Description: The Interactive Online Network of Inorganic Chemists (IONiC) continues to provide a community to support the teaching and learning of inorganic chemistry, and those who teach inorganic chemistry. The most introduction to this community of transformation is the Virtual Inorganic Pedagogical Electronic Resource (VIPEr) website (http://www.ionicviper.org). The pandemic has led this community of transformation to create nanoCHAts and SLiThErs. While slightly different in format, at their core these are presentations by community members on a variety of topics relevant to the community. The presentations are recorded and made available on our YouTube channel. This presentation will be a live SLiThEr event where people can participate both in-person and remote. We will discuss recent developments with the VIPEr website and the community in general. As time allows, additional topics related to content specific material may be addressed.
Electrochemical Aptamer-Based Biosensors Workshop: Part B: Test Them!
Workshop Organizers: N. Arroyo, M.A. Pellitero
Science Complex Chemistry
Room C232
Time: 1:00 pm - 5:00 pm
Description: Did you know that nucleic acids can reversibly bind with high specificity to different chemical targets? From ions to small molecule therapeutics, to peptides and proteins, nucleic acid oligonucleotides can achieve selective molecular recognition and be used to make electrochemical biosensors for the real-time, continuous monitoring of molecular targets. We refer to these selective oligos as aptamers and in this workshop, we will teach you how to use them to make electrochemical biosensors.
What you need:
[1] A notebook, pen, and PPE (coat and goggles).
[2] A PC laptop for data analysis, if possible. If not, we will provide one.
[3] A desire to learn how to make aptamer-based sensors.
The workshop is divided into morning and afternoon sessions. Teams of 3 attendants will be created and each will be assigned to an electrochemical workstation.
Chemical Representations and Modern Architectures
Workshop Organizers: M. Webb, A. White
Social Sciences Building
Room 324 NOTE ROOM CHANGE!
Time: 9:00 am - 12:00 pm
Description: This workshop will provide an introduction to important elements for representing chemistry to machine learning algorithms. It will include discussion of modern architectures and their applications. The workshop is open to and accessible to those at any career stage. Little to no prior experience with machine learning is expected. Regarding mathematical background, instruction and hands-on components will presume familiarity with topics in calculus and linear algebra. Hands-on portions and examples will rely on Python programming.
Resume Development: Marketing your brand for an industrial chemistry position
Workshop Organizers: B. Tweedy
Social Sciences Building
Room 128
Time: 10:00 am - 12:00 pm
MCC Workshop: Incorporation of computational approaches into protein based CUREs
Workshop Organizers: L. Gentile
Social Sciences Building
Room 102
Time: 1:00 pm - 4:15 pm
Description: Set within the context of the Malate Dehydrogenase CUREs Community (MCC), this workshop will focus on some of the readily available computational resources being used in undergraduate teaching labs. This will include hands-on use/examples of the PDB, PyMOL, Chimera, POCASA, SwissDock, HawkDock, PHYRE2, DeepRefiner, and MolProbity. You will also learn how you can engage with MCC.
Protein structure-function relationships using PyMOL and LEGO® bricks
Workshop Organizers: S. Austin
Social Sciences Building
Room 131
Time: 1:00 pm - 4:15 pm
Description: In this workshop participants will briefly learn the rudiments of protein visualization using PyMOL, they will work with common proteins of interest such as hemoglobin and GFP. Participants will also discover the use of LEGO® bricks in the classroom as a visualization tool to promote active learning and improve understanding of protein structure-function relationships. You will also learn more about future opportunities with BioMolViz.
BASIL: Combining computational and wet lab approaches to protein function prediction
Workshop Organizers: J. Koeppe
Social Sciences Building
Room 128
Time: 1:00 pm - 4:15 pm
Description: The BASIL (Biochemistry Authentic Scientific Inquiry Lab) curriculum includes traditional bench experiments (protein expression, purification, and characterization) and computational approaches (sequence and structure alignment, ligand docking). This workshop will provide an overview of the curriculum, hands-on experience with web-based resources (bring your laptop) and an opportunity to further engage with the BASIL group.
BioMolViz Workshop: Designing assessments to teach and measure biomolecular visual literacy
Workshop Organizers: R. Roberts
Social Sciences Building
Room 223
Time: 1:00 pm - 4:15 pm
Description: The BioMolViz community has developed a framework on biomolecular visualization that can be used by instructors. In this workshop, we will explain faculty development opportunities within BioMolViz about molecular visualization software, the BioMolViz framework, and assessment design. We will then work in groups to create quality assessments for biomolecular visual literacy and to share our experiences and insights. We will also explain how BioMolViz works and how you can participate more fully in our community.
Elements of Applied Machine Learning in Chemistry and Materials Design
Workshop Organizers: M. Webb, A. White
Social Sciences Building
Room 324 NOTE ROOM CHANGE!
Time: 3:00 pm - 6:00 pm
Description: This workshop will provide an introduction to active learning and Bayesian optimization methods. Good practices will be discussed. Generative models and additional case-studies will be presented. The workshop is open to and accessible to those at any career stage. Little to no prior experience with machine learning is expected. Regarding mathematical background, instruction and hands-on components will presume familiarity with topics in calculus and linear algebra. Hands-on portions and examples will rely on Python programming.
Cambridge Crystallographic Database Workshop
Workshop Organizers: Cambridge Crystallographic Database
Science Complex Chemistry
Room C122
Time: 2:30 pm - 6:30 pm
The workshop will focus on how to extract valuable insights from the more than one million crystal structures in the Cambridge Structural Database (CSD). In this session, we will introduce the basics of the CSD-Materials software package to explore the design and stability of a crystal. The workshop will cover solid form analysis and ways to better understand intermolecular interactions and assess structural stability using Full Interaction Maps and Hydrogen Bond Propensities. Attendees will learn how to search motifs, crystal packing features and quantify crystal packing similarity using Mercury. They will also get the opportunity to use the software with hands-on exercises, which will be provided should they want to explore the CSD further.
High School Teacher Workshop: The Next Generation
Workshop Organizers: TBD
Science Complex Chemistry
Room C232
Time: 10:00 am - 3:00 pm