Thomas L Beck
Overview
Explore the profile of Thomas L Beck including associated specialties, affiliations and a list of published articles.
Author names and details appear as published. Due to indexing inconsistencies, multiple individuals may share a name, and a single author may have variations. MedLuna displays this data as publicly available, without modification or verification
Snapshot
Snapshot
Articles
35
Citations
156
Followers
0
Related Specialties
Related Specialties
Top 10 Co-Authors
Top 10 Co-Authors
Published In
Published In
Affiliations
Affiliations
Soon will be listed here.
Recent Articles
1.
Mous S, Poitevin F, Hunter M, Asthagiri D, Beck T
Curr Opin Struct Biol
. 2024 Mar;
86:102808.
PMID: 38547555
Serial femtosecond X-ray crystallography has emerged as a powerful method for investigating biomolecular structure and dynamics. With the new generation of X-ray free-electron lasers, which generate ultrabright X-ray pulses at...
2.
Beck T, Carloni P, Asthagiri D
J Chem Theory Comput
. 2024 Feb;
20(5):1777-1782.
PMID: 38382017
Exascale supercomputers have opened the door to dynamic simulations, facilitated by AI/ML techniques, that model biomolecular motions over unprecedented length and time scales. This new capability holds the potential to...
3.
Asthagiri D, Beck T
J Chem Theory Comput
. 2023 Dec;
20(1):368-374.
PMID: 38156881
In simulations of aqueous systems, it is common to freeze the bond vibration and angle bending modes in water to allow for a longer time step δ for integrating the...
4.
Kang X, Eisenhart A, Dar A, Mittapalli R, Greenwood A, Alsheddi L, et al.
RSC Adv
. 2023 Sep;
13(37):25846-25852.
PMID: 37664192
Oxybenzone (OXB), a very widely used sunscreen ingredient has the potential to block both UVA and UVB but can penetrate through skin. Studies have revealed its presence in the blood...
5.
Kumari H, Negin S, Eisenhart A, Patel M, Beck T, Heinrich F, et al.
RSC Adv
. 2022 Nov;
12(49):32046-32055.
PMID: 36415550
Supramolecular interactions are well recognized and many of them have been extensively studied in chemistry. The formation of supramolecular complexes that rely on weak force interactions are less well studied...
6.
Shi Y, Lam S, Beck T
Chem Sci
. 2022 Aug;
13(28):8265-8273.
PMID: 35919729
With dual goals of efficient and accurate modeling of solvation thermodynamics in molten salt liquids, we employ molecular dynamics (AIMD) simulations, deep neural network interatomic potentials (NNIP), and quasichemical theory...
7.
Kumari H, Eisenhart A, Pajoubpong J, Heinrich F, Beck T
RSC Adv
. 2022 May;
10(26):15148-15153.
PMID: 35495443
We report on the permeation of free and macrocycle-bound avobenzone across a POPC lipid bilayer through combined neutron reflectometry experiments and molecular dynamics simulations. Results indicate that the -phosphonated calix[8]arene...
8.
Eisenhart A, Beck T
J Phys Chem B
. 2021 Dec;
125(50):13635-13643.
PMID: 34894679
Identifying the driving forces behind the solvation of inorganic salts by nonaqueous solvents is an important step in the development of green solvents. Here we focus on one promising solvent:...
9.
Shi Y, Doyle C, Beck T
J Phys Chem Lett
. 2021 Oct;
12(42):10310-10317.
PMID: 34662132
Ionic solvation phenomena in liquids involve intense interactions in the inner solvation shell. For interactions beyond the first shell, the ion-solvent interaction energies result from the sum of many smaller-magnitude...
10.
Ashbaugh H, Asthagiri D, Beck T, Rempe S
J Phys Chem B
. 2021 May;
125(19):4925-4927.
PMID: 34011143
No abstract available.