Gustavo E Lopez
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Explore the profile of Gustavo E Lopez including associated specialties, affiliations and a list of published articles.
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27
Citations
235
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Recent Articles
1.
Eltareb A, Rivera-Cancel J, Lopez G, Giovambattista N
Mol Phys
. 2025 Jan;
122(21-22).
PMID: 39845025
The stability of proteins and small peptides depends on the way they interact with the surrounding water molecules. For small peptides, such as -helical polyalanine (polyALA), water molecules can weaken...
2.
Eltareb A, Khan B, Lopez G, Giovambattista N
J Chem Phys
. 2024 Dec;
161(23).
PMID: 39679523
We perform classical molecular dynamics (MD) and path-integral MD (PIMD) simulations of H2O and D2O using the q-TIP4P/F model over a wide range of temperatures and pressures to study the...
3.
Eltareb A, Zhou Y, Lopez G, Giovambattista N
Commun Chem
. 2024 Dec;
7(1):289.
PMID: 39632951
The potential energy landscape (PEL) formalism is a powerful tool within statistical mechanics to study the thermodynamic properties of classical low-temperature liquids and glasses. Recently, the PEL formalism has been...
4.
Eltareb A, Lopez G, Giovambattista N
J Chem Phys
. 2024 Apr;
160(15).
PMID: 38639318
The potential energy landscape (PEL) formalism is a tool within statistical mechanics that has been used in the past to calculate the equation of states (EOS) of classical rigid model...
5.
Eltareb A, Lopez G, Giovambattista N
Commun Chem
. 2024 Feb;
7(1):36.
PMID: 38378859
Amorphous ices are usually classified as belonging to low-density or high-density amorphous ice (LDA and HDA) with densities ρ ≈ 0.94 g/cm and ρ ≈ 1.15-1.17 g/cm. However, a recent...
6.
Zhou Y, Lopez G, Giovambattista N
J Chem Theory Comput
. 2024 Feb;
20(5):1847-1861.
PMID: 38323779
The potential energy landscape (PEL) formalism has been used in the past to describe the behavior of low-temperature liquids and glasses. Here, we extend the PEL formalism to describe the...
7.
Eltareb A, Lopez G, Giovambattista N
J Phys Chem B
. 2023 May;
127(20):4633-4645.
PMID: 37178124
We study the nuclear quantum effects (NQE) on the thermodynamic properties of low-density amorphous ice (LDA) and hexagonal ice () at = 0.1 MPa and ≥ 25 K. Our results...
8.
Phipps M, Cingoranelli S, Bhupathiraju N, Younes A, Cao M, Sanders V, et al.
Inorg Chem
. 2023 Feb;
62(50):20567-20581.
PMID: 36724083
Three isotopes of scandium─Sc, Sc, and Sc─have attracted increasing attention as potential candidates for use in imaging and therapy, respectively, as well as for possible theranostic use as an elementally...
9.
Bian J, Cruz A, Lopez-Morales G, Kyrylenko A, McGregor D, Lopez G
Int J Quantum Chem
. 2022 Oct;
122(19).
PMID: 36213174
Histidine (an imidazole-based amino acid) is a promising building block for short aromatic peptides containing a proton donor/acceptor moiety. Previous studies have shown that polyalanine helical peptides substituted at regular...
10.
Zhou Y, Lopez G, Giovambattista N
J Chem Phys
. 2022 Oct;
157(12):124502.
PMID: 36182441
As a liquid approaches the gas state, the properties of the potential energy landscape (PEL) sampled by the system become anomalous. Specifically, (i) the mechanically stable local minima of the...