Jamshed Anwar
Overview
Explore the profile of Jamshed Anwar including associated specialties, affiliations and a list of published articles.
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42
Citations
702
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Recent Articles
1.
Carruthers J, Ferrario M, Anwar J
J Chem Phys
. 2023 Jul;
159(4).
PMID: 37503850
The prediction of solubilities of compounds by means of molecular simulation has been receiving increasing attention due to the key role played by solubility in countless applications. We have predicted...
2.
Duran S, Anwar J, Moin S
Biophys Chem
. 2023 Jan;
294:106958.
PMID: 36682087
Gentamicin is used to treat brucellosis, an infectious disease caused by the Brucella species but the drug faces several issues such as low efficacy, instability, low solubility, and toxicity. It...
3.
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...
4.
Horton J, Boothroyd S, Wagner J, Mitchell J, Gokey T, Dotson D, et al.
J Chem Inf Model
. 2022 Nov;
62(22):5622-5633.
PMID: 36351167
The development of accurate transferable force fields is key to realizing the full potential of atomistic modeling in the study of biological processes such as protein-ligand binding for drug discovery....
5.
Khurshid B, Rehman A, Muhammad S, Wadood A, Anwar J
ACS Omega
. 2022 Jul;
7(25):22032-22038.
PMID: 35785332
Recent studies show that curcumin, a naturally fluorescent dye, can be used for the noninvasive optical imaging of retinal amyloid-β (Aβ) plaques. We investigated the molecular basis for curcumin's specificity...
6.
Khurshid B, Rehman A, Luo R, Khan A, Wadood A, Anwar J
ACS Omega
. 2022 May;
7(17):15132-15144.
PMID: 35572757
Glycosaminoglycans (GAGs), in particular, heparan sulfate and heparin, are found colocalized with Aβ amyloid. They have been shown to enhance fibril formation, suggesting a possible pathological connection. We have investigated...
7.
Rani S, Malik F, Anwar J, Paracha R
PeerJ
. 2022 Apr;
10:e12984.
PMID: 35368337
Several natural mutants of the human G6PD enzyme exist and have been reported. Because the enzymatic activities of many mutants are different from that of the wildtype, the genetic polymorphism...
8.
Arshad N, Mir M, Perveen F, Javed A, Javaid M, Saeed A, et al.
Molecules
. 2022 Jan;
27(2).
PMID: 35056668
Imidazolidine and thiazolidine-based isatin derivatives (IST-01-04) were synthesized, characterized, and tested for their interactions with ds-DNA. Theoretical and experimental findings showed good compatibility and indicated compound-DNA binding by mixed mode...
9.
Smith D, Lolinco A, Glick Z, Lee J, Alenaizan A, Barnes T, et al.
J Chem Phys
. 2021 Dec;
155(20):204801.
PMID: 34852489
Community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, and interoperable interfaces that work with existing community codes to provide more functionality and composability than could...
10.
Khanna V, Anwar J, Frenkel D, Doherty M, Peters B
J Chem Phys
. 2021 May;
154(16):164509.
PMID: 33940822
Free energies of crystals computed using a center of mass constraint require a finite-size correction, as shown in previous work by Polson et al. [J. Chem. Phys. 112, 5339-5342 (2000)]....