Zachary L Glick
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Explore the profile of Zachary L Glick including associated specialties, affiliations and a list of published articles.
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16
Citations
200
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Recent Articles
1.
Glick Z, Metcalf D, Glick C, Spronk S, Koutsoukas A, Cheney D, et al.
Chem Sci
. 2024 Aug;
15(33):13313-13324.
PMID: 39183910
Quantifying intermolecular interactions with quantum chemistry (QC) is useful for many chemical problems, including understanding the nature of protein-ligand interactions. Unfortunately, QC computations on protein-ligand systems are too computationally expensive...
2.
Jiang A, Glick Z, Poole D, Turney J, Sherrill C, Schaefer 3rd H
J Chem Phys
. 2024 Aug;
161(8).
PMID: 39171707
We present an efficient, open-source formulation for coupled-cluster theory through perturbative triples with domain-based local pair natural orbitals [DLPNO-CCSD(T)]. Similar to the implementation of the DLPNO-CCSD(T) method found in the...
3.
Poole D, Williams-Young D, Jiang A, Glick Z, Sherrill C
J Chem Phys
. 2024 Aug;
161(5).
PMID: 39092936
Multiple algorithms exist for calculating Coulomb (J) or exchange (K) contributions to Fock-like matrices, and it is beneficial to develop a framework that allows the seamless integration and combination of...
4.
Zeng Y, Pavlova A, Nelson P, Glick Z, Yang L, Pang Y, et al.
J Chem Phys
. 2024 Jun;
160(24).
PMID: 38916266
Access to accurate force-field parameters for small molecules is crucial for computational studies of their interactions with proteins. Although a number of general force fields for small molecules exist, e.g.,...
5.
Metcalf D, Glick Z, Bortolato A, Jiang A, Cheney D, Sherrill C
J Chem Inf Model
. 2024 Mar;
64(6):1907-1918.
PMID: 38470995
The protein-ligand binding free energy is a central quantity in structure-based computational drug discovery efforts. Although popular alchemical methods provide sound statistical means of computing the binding free energy of...
6.
Spronk S, Glick Z, Metcalf D, Sherrill C, Cheney D
Sci Data
. 2023 Sep;
10(1):619.
PMID: 37699937
Fast and accurate calculation of intermolecular interaction energies is desirable for understanding many chemical and biological processes, including the binding of small molecules to proteins. The Splinter ["Symmetry-adapted perturbation theory...
7.
Nelson P, Glick Z, Sherrill C
J Chem Phys
. 2023 Sep;
159(9).
PMID: 37655773
The focal-point approximation can be used to estimate a high-accuracy, slow quantum chemistry computation by combining several lower-accuracy, faster computations. We examine the performance of focal-point methods by combining second-order...
8.
A quantitative assessment of deformation energy in intermolecular interactions: How important is it?
Sargent C, Kasera R, Glick Z, Sherrill C, Cheney D
J Chem Phys
. 2023 Jun;
158(24).
PMID: 37352421
Dimer interaction energies have been well studied in computational chemistry, but they can offer an incomplete understanding of molecular binding depending on the system. In the current study, we present...
9.
Borca C, Glick Z, Metcalf D, Burns L, Sherrill C
J Chem Phys
. 2023 Jun;
158(23).
PMID: 37318167
The many-body expansion (MBE) is promising for the efficient, parallel computation of lattice energies in organic crystals. Very high accuracy should be achievable by employing coupled-cluster singles, doubles, and perturbative...
10.
Xie Y, Glick Z, Sherrill C
J Chem Phys
. 2023 Mar;
158(9):094110.
PMID: 36889937
To study the contribution of three-body dispersion to crystal lattice energies, we compute the three-body contributions to the lattice energies for crystalline benzene, carbon dioxide, and triazine using various computational...