Marcel S Frenkel
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Explore the profile of Marcel S Frenkel including associated specialties, affiliations and a list of published articles.
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5
Citations
55
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Recent Articles
1.
Holt G, Gorman J, Wang S, Lowegard A, Zhang B, Liu T, et al.
Cell Rep
. 2023 Jul;
42(7):112711.
PMID: 37436900
Broadly neutralizing antibodies (bNAbs) against HIV can reduce viral transmission in humans, but an effective therapeutic will require unusually high breadth and potency of neutralization. We employ the OSPREY computational...
2.
Wang S, Reeve S, Holt G, Ojewole A, Frenkel M, Gainza P, et al.
PLoS Comput Biol
. 2022 Feb;
18(2):e1009855.
PMID: 35143481
Antimicrobial resistance presents a significant health care crisis. The mutation F98Y in Staphylococcus aureus dihydrofolate reductase (SaDHFR) confers resistance to the clinically important antifolate trimethoprim (TMP). Propargyl-linked antifolates (PLAs), next...
3.
Lowegard A, Frenkel M, Holt G, Jou J, Ojewole A, Donald B
PLoS Comput Biol
. 2020 Jun;
16(6):e1007447.
PMID: 32511232
The K* algorithm provably approximates partition functions for a set of states (e.g., protein, ligand, and protein-ligand complex) to a user-specified accuracy ε. Often, reaching an ε-approximation for a particular...
4.
Reeve S, Si D, Krucinska J, Yan Y, Viswanathan K, Wang S, et al.
ACS Infect Dis
. 2019 Oct;
5(11):1896-1906.
PMID: 31565920
The spread of plasmid borne resistance enzymes in clinical isolates is rendering trimethoprim and iclaprim, both inhibitors of dihydrofolate reductase (DHFR), ineffective. Continued exploitation of these targets will require compounds...
5.
Hallen M, Martin J, Ojewole A, Jou J, Lowegard A, Frenkel M, et al.
J Comput Chem
. 2018 Oct;
39(30):2494-2507.
PMID: 30368845
We present osprey 3.0, a new and greatly improved release of the osprey protein design software. Osprey 3.0 features a convenient new Python interface, which greatly improves its ease of...