About BAGIM

BAGIM is an active community of Boston area scientists bringing together people from diverse fields of modeling and informatics to impact life and health sciences. BAGIM strives to create a forum for great scientific discussions covering a wide range of topics including data management, visualization, computational chemistry, drug discovery, protein structure, molecular modeling, structure-based drug design, data mining, software tools, and the sharing of goals and experiences. Our community is made up of participants from academia, government, and industry whose goal is to engage in the discussion of science involving a synthesis of theory and technology. Discussions sponsored by BAGIM are targeted to the needs and interests of informatics scientists, computational chemists, medicinal chemists, and statisticians. BAGIM also provides opportunities for networking within these disciplines as well as an arena for the dissemination of information of specific interest to the membership.

Saturday, August 31, 2024

Steve Muchmore - Macromolecule Conformational Heterogeneity in CryoEM

Join us for some great networking, hors d'oeuvres, drinks, and a scientific presentation on Macromolecule Conformational Heterogeneity in CryoEM, to be presented by Steven W. Muchmore, Group Director Structural Biology, at OpenEye, Cadence Molecular Sciences.

Date: December 12, 2024
Location: Boston Marriott Cambridge
Host: BAGIM & OpenEye, Cadence Molecular Sciences

Speaker: Steve Muchmore
Presentation Topic: Macromolecule Conformational Heterogeneity in CryoEM

Event Agenda
5:15 pm - Doors open
6:00 pm - Presentation followed by a Q&A
6:45 pm - Networking

Event is in Salons 1-2 Foyer room at the Marriot.
Discount Parking Stickers for Kendal Center Green Garage (available after 5 PM Mon-Fri or up to 10 hrs. Sat/Sun, Pay On Own, $10 per car after 5 PM). Marriot Valet is $62.

About the presenter
Steve Muchmore heads up the Structural Biology group at OpenEye, Cadence Molecular Sciences. Steve has extensive experience in the use of 3D structural information in pharmaceutical development environments, having spent 25 years in various roles in drug discovery. Initially trained as an x-ray crystallographer, he has been caught up in supporting the emerging field of cryoEM with a particular focus on automating the fitting of models to the cryoEM reconstruction maps.

About the presentation
Structural Biology has undergone a startling revolution in the past ten years or so with the development of cryogenic Electron Microscopy (cryoEM) hardware and software systems that can generate near-atomic resolution structures of biologically relevant macromolecular systems. Sample handling for cryoEM doesn’t require crystallization to enable data collection. This difference can lead to the capture of conformational heterogeneity which potentially can be used in drug discovery efforts. This presentation will discuss methods developed to visualize the structural heterogeneity, both in the generation of the experimental maps and in fitting models to those electron density representations

Networking event and Poster Session co-hosted with Computational Medicinal Chemistry School Organizing Committee

Details

We are having October BAGIM in-person event with Computational Medicinal Chemistry School Organizing Committee.

Date: October 29, 2024 @ 4:00 PM
Location: Novartis Institutes for Biomedical Research – 250 Massachusetts Ave. Cambridge, MA 02139

4:00 PM - 6:00 PM - Reception / Social Gathering with Food & Drink

Please arrive early and promptly to get signed in and to join us for the networking event and poster session

Host: BAGIM & Computational Medicinal Chemistry School Organizing Committee

You can find out more about this event here - Computational Medicinal Chemistry School (compmedchem.org)

What:

This 3-day school is intended to narrow the gap between the methods development focused training in academia and the skillset required to be a full participant in drug discovery projects. To accomplish this, we have gathered seasoned computational drug hunters to explain not only the biology or chemistry that underlies a fundamental process/hurdle in pre-clinical drug discovery, but also how to think about addressing it from a computational perspective.

Who:
  1. Undergraduatesgraduates students or postdocs with experience in computational chemistry,computational biophysics, cheminformatics or machine learning for chemistry.
  2. Early career computational chemists/biophysicists or machine learning scientists in industry with backgrounds in methods development looking for a formal introduction to computational drug discovery
  3. Computationally-savvy medicinal chemists looking to broaden their exposure to computational methods through case studies


FAIR in CMC: Addressing Data Silos in Chemistry, Manufacturing, and Control

 We are having September BAGIM in-person event with Zifo. We welcome presenter Tamerlan Adamovich Saidov where he will discuss Digital Transformation and FAIR in CMC: Addressing Data Silos in Chemistry, Manufacturing, and Control

Date: September 11, 2024 @ 5:45 PM
Location: CIC Cambridge, 1 Broadway, Cambridge, MA 02142
Havana Room, Floor 3

5:45 PM - Sign-in
6:00 PM - 7:00 PM - Presentation & Q&A
7:00 PM - 9:00 PM - Reception / Social Gathering with Food & Drink

Please arrive early and promptly to get signed in and to join us for the presentation with a reception afterwards.

You can register Here - FAIR in CMC: Addressing Data Silos in Chemistry, Manufacturing, and Control, Wed, Sep 11, 2024, 5:45 PM | Meetup

Host: BAGIM & Zifo
Speaker: Tamerlan Adamovich Saidov
Title: Digital Transformation and FAIR in CMC: Addressing Data Silos in Chemistry, Manufacturing, and Control
Abstract:

Digital transformation plays a crucial role in optimizing Chemistry, Manufacturing, and Control (CMC) processes in the pharmaceutical and biotech industry. The use of a FAIR (Findable, Accessible, Interoperable, Reusable) data standards approach is instrumental in this transformation. It is vital to have a deep scientific and strategic understanding of pharmaceutical and biotech development to enable effective digital transformation, solve the data silo issues and avoid the creation of so-called digital-induced silos. Our discussion will focus on how the integration of scientific knowledge and digital principles can enhance data governance and analytics within CMC-specific environments. Our approach involves evaluating data not solely as isolated units, but also in the context of the type of development and the associated unit operations, as well as the settings in which studies are conducted – be it internally or at CROs and CDMOs. This comprehensive perspective leads to a new FAIR vision, encompassing data-specific and CMC-specific scientific nuances in data.

At Zifo, our approach to digital transformation involves adopting this holistic, multilayered view. Real-world examples will illustrate how digital tools and FAIR data frameworks can streamline data integration and enhance decision-making. Witness how these innovations drive compliance, efficiency, and agility, thereby paving the way for a more responsive and competitive pharmaceutical industry.

Speaker Bio

Tamerlan Adamovich Saidov, Ph.D, has 15 years of experience driving innovation in medical physics and the pharmaceutical industry. He has led numerous projects in drug product development, digital toxicology, digital transformation, and data strategy. Tamerlan is currently a CMC and Data Strategy Consultant at Zifo RnD Solutions, where he leads global digital transformation, advanced CMC-specific data strategy transitions, and data governance initiatives for top pharma companies. Tamerlan is passionate about applying a deep scientific approach, AI, and data-driven decision-making to enhance business processes and drug development in the complex CMC space.