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X-WR-CALNAME:Biomedical Mathematics Group
X-ORIGINAL-URL:https://www.ibs.re.kr/bimag
X-WR-CALDESC:Events for Biomedical Mathematics Group
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TZID:Asia/Seoul
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DTSTART:20250101T000000
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BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20260703T100000
DTEND;TZID=Asia/Seoul:20260703T120000
DTSTAMP:20260528T012333Z
CREATED:20260527T140141Z
LAST-MODIFIED:20260528T012333Z
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SUMMARY:A Metabolism-Informed Neural Network Identifies Pathways Influencing the Potency and Toxicity of Antimicrobial Combinations - Se Jun Ahn
DESCRIPTION:In this talk\, we discuss the paper “A Metabolism-Informed Neural Network Identifies Pathways Influencing the Potency and Toxicity of Antimicrobial Combinations” by Harkirat Sigh Arora et al.\, npj drug discovery\, 2026. \nAbstract: \nAntimicrobial resistance poses a major global threat\, driven by diminishing efficacy of current treatments and limited new therapies. Combination therapy with existing drugs offers a promising solution\, yet current empirical screening methods are expensive and often lead to suboptimal efficacy and inadvertent toxicity. We introduce CALMA\, a computational framework that quantitatively analyzes the potency-toxicity landscape of multi-drug combinations. Integrating genome-scale metabolic modeling with a neural network that reflects metabolic subsystems\, CALMA enhances interpretability and prioritizes pathways influencing drug interactions. The incorporation of metabolic architecture in the neural network leads to over 92% reduction in model parameters\, enabling it to learn generalizable mechanistic signals and reducing the experimental search space of optimal combinations by 97%. CALMA identified promising antimicrobial combinations against Escherichia coli and Mycobacterium tuberculosis that were antagonistic for kidney and liver toxicity and uncovered the nucleotide salvage pathway as a selective influencer of toxicity\, which was validated in vitro. Mining of health records of over 400\,000 patients showed reduced frequency of kidney side-effects in patients taking a vancomycin combination identified by CALMA. CALMA provides a rational\, mechanistic approach to streamline combination treatment design.
URL:https://www.ibs.re.kr/bimag/event/a-metabolism-informed-neural-network-identifies-pathways-influencing-the-potency-and-toxicity-of-antimicrobial-combinations-se-jun-ahn/
LOCATION:B232 Seminar Room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
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DTSTART;TZID=Asia/Seoul:20260706T110000
DTEND;TZID=Asia/Seoul:20260706T120000
DTSTAMP:20260616T012906Z
CREATED:20260616T012906Z
LAST-MODIFIED:20260616T012906Z
UID:12611-1783335600-1783339200@www.ibs.re.kr
SUMMARY:The effect of the fitness gradient - Jakub Svoboda
DESCRIPTION:Abstract: \nEvolutionary biology studies populations of reproducing individuals and how their composition changes over time.An important question is the fixation probability of a single mutant that attempts to invade a homogeneous population.Many real populations experience gradients of chemicals or nutrients that cause mutations to be beneficial in some spatial regions and harmful in others.We will examine the fixation probability of a mutant placed on a simple one-dimensional spatial structure that experiences such a gradient.The mutant’s fitness varies linearly but is on average 1\, whereas the resident’s fitness is constant and equal to 1.We will prove nonintuitive results about the fixation probability of mutants.
URL:https://www.ibs.re.kr/bimag/event/the-effect-of-the-fitness-gradient-jakub-svoboda/
LOCATION:B232 Seminar Room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Biomedical Mathematics Seminar
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