Lorenzo DAmore
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Explore the profile of Lorenzo DAmore including associated specialties, affiliations and a list of published articles.
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6
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72
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Recent Articles
1.
DAmore L, Hahn D, Dotson D, Horton J, Anwar J, Craig I, et al.
J Chem Inf Model
. 2022 Nov;
62(23):6094-6104.
PMID: 36433835
Force fields form the basis for classical molecular simulations, and their accuracy is crucial for the quality of, for instance, protein-ligand binding simulations in drug discovery. The huge diversity of...
2.
Brinkmeier A, Dalle K, DAmore L, Schulz R, Dechert S, Demeshko S, et al.
J Am Chem Soc
. 2021 Oct;
143(42):17751-17760.
PMID: 34658244
The properties of metal/dioxygen species, which are key intermediates in oxidation catalysis, can be modulated by interaction with redox-inactive Lewis acids, but structural information about these adducts is scarce. Here...
3.
Acevedo-Rocha C, Li A, DAmore L, Hoebenreich S, Sanchis J, Lubrano P, et al.
Nat Commun
. 2021 Mar;
12(1):1621.
PMID: 33712579
Multidimensional fitness landscapes provide insights into the molecular basis of laboratory and natural evolution. To date, such efforts usually focus on limited protein families and a single enzyme trait, with...
4.
DAmore L, Belpassi L, Klein J, Swart M
Chem Commun (Camb)
. 2020 Sep;
56(81):12146-12149.
PMID: 32910113
We introduce here the spin-resolved version of the charge displacement function, which is applied to two competing pathways of proton-coupled electron transfer in oxidation catalysis (hydrogen-atom transfer, concerted proton-coupled electron...
5.
Li A, Acevedo-Rocha C, DAmore L, Chen J, Peng Y, Garcia-Borras M, et al.
Angew Chem Int Ed Engl
. 2020 Apr;
59(30):12499-12505.
PMID: 32243054
Steroidal C7β alcohols and their respective esters have shown significant promise as neuroprotective and anti-inflammatory agents to treat chronic neuronal damage like stroke, brain trauma, and cerebral ischemia. Since C7...
6.
Trammell R, DAmore L, Cordova A, Polunin P, Xie N, Siegler M, et al.
Inorg Chem
. 2019 May;
58(11):7584-7592.
PMID: 31084018
The use of copper for C-H bond functionalization, compared to other metals, is relatively unexplored. Herein, we report a synthetic protocol for the regioselective hydroxylation of sp and sp C-H...