Detalhe da pesquisa
1.
AlphaFold2-Enabled Atomistic Modeling of Structure, Conformational Ensembles, and Binding Energetics of the SARS-CoV-2 Omicron BA.2.86 Spike Protein with ACE2 Host Receptor and Antibodies: Compensatory Functional Effects of Binding Hotspots in Modulating Mechanisms of Receptor Binding and Immune Escape.
J Chem Inf Model
; 64(5): 1657-1681, 2024 Mar 11.
Artigo
Inglês
| MEDLINE | ID: mdl-38373700
2.
Comparative phenotypic and genotypic analysis of community-acquired and hospital-acquired intra-abdominal infections among liver transplanted patients.
J Appl Microbiol
; 135(4)2024 Apr 01.
Artigo
Inglês
| MEDLINE | ID: mdl-38515285
3.
Structural and Dynamical Basis of VP35-RBD Inhibition by Marine Fungi Compounds to Combat Marburg Virus Infection.
Mar Drugs
; 22(1)2024 Jan 03.
Artigo
Inglês
| MEDLINE | ID: mdl-38248659
4.
Ensemble-Based Mutational Profiling and Network Analysis of the SARS-CoV-2 Spike Omicron XBB Lineages for Interactions with the ACE2 Receptor and Antibodies: Cooperation of Binding Hotspots in Mediating Epistatic Couplings Underlies Binding Mechanism and Immune Escape.
Int J Mol Sci
; 25(8)2024 Apr 12.
Artigo
Inglês
| MEDLINE | ID: mdl-38673865
5.
Inhibition of SARS-CoV-2 NSP-15 by Uridine-5'-Monophosphate Analogues Using QSAR Modelling, Molecular Dynamics Simulations, and Free Energy Landscape.
Saudi Pharm J
; 32(1): 101914, 2024 Jan.
Artigo
Inglês
| MEDLINE | ID: mdl-38111672
6.
Consumption of aphrodisiac drugs without prescription among men in Saudi Arabia: cross-sectional study.
Saudi Pharm J
; 32(2): 101955, 2024 Feb.
Artigo
Inglês
| MEDLINE | ID: mdl-38292406
7.
Exploring and Learning the Universe of Protein Allostery Using Artificial Intelligence Augmented Biophysical and Computational Approaches.
J Chem Inf Model
; 63(5): 1413-1428, 2023 03 13.
Artigo
Inglês
| MEDLINE | ID: mdl-36827465
8.
Markov State Models and Perturbation-Based Approaches Reveal Distinct Dynamic Signatures and Hidden Allosteric Pockets in the Emerging SARS-Cov-2 Spike Omicron Variant Complexes with the Host Receptor: The Interplay of Dynamics and Convergent Evolution Modulates Allostery and Functional Mechanisms.
J Chem Inf Model
; 63(16): 5272-5296, 2023 08 28.
Artigo
Inglês
| MEDLINE | ID: mdl-37549201
9.
Association of early mobility with the incidence of deep-vein thrombosis and mortality among critically ill patients: a post hoc analysis of PREVENT trial.
Crit Care
; 27(1): 83, 2023 03 03.
Artigo
Inglês
| MEDLINE | ID: mdl-36869382
10.
Pomegranate peel extract is an effective agent against MDR bacteria.
Cell Mol Biol (Noisy-le-grand)
; 69(5): 6-11, 2023 May 31.
Artigo
Inglês
| MEDLINE | ID: mdl-37571908
11.
Probing conformational landscapes of binding and allostery in the SARS-CoV-2 omicron variant complexes using microsecond atomistic simulations and perturbation-based profiling approaches: hidden role of omicron mutations as modulators of allosteric signaling and epistatic relationships.
Phys Chem Chem Phys
; 25(32): 21245-21266, 2023 Aug 16.
Artigo
Inglês
| MEDLINE | ID: mdl-37548589
12.
Prophylactic Inferior Vena Cava Filters for Venous Thromboembolism in Adults With Trauma: An Updated Systematic Review and Meta-Analysis.
J Intensive Care Med
; 38(6): 491-510, 2023 Jun.
Artigo
Inglês
| MEDLINE | ID: mdl-36939472
13.
Exploration of phytochemical compounds against Marburg virus using QSAR, molecular dynamics, and free energy landscape.
Mol Divers
; 2023 Nov 05.
Artigo
Inglês
| MEDLINE | ID: mdl-37925643
14.
Novel Glu-based pyrazolo[3,4-d]pyrimidine analogues: design, synthesis and biological evaluation as DHFR and TS dual inhibitors.
J Enzyme Inhib Med Chem
; 38(1): 2203879, 2023 Dec.
Artigo
Inglês
| MEDLINE | ID: mdl-37080777
15.
Coarse-Grained Molecular Simulations and Ensemble-Based Mutational Profiling of Protein Stability in the Different Functional Forms of the SARS-CoV-2 Spike Trimers: Balancing Stability and Adaptability in BA.1, BA.2 and BA.2.75 Variants.
Int J Mol Sci
; 24(7)2023 Apr 02.
Artigo
Inglês
| MEDLINE | ID: mdl-37047615
16.
From Deep Mutational Mapping of Allosteric Protein Landscapes to Deep Learning of Allostery and Hidden Allosteric Sites: Zooming in on "Allosteric Intersection" of Biochemical and Big Data Approaches.
Int J Mol Sci
; 24(9)2023 Apr 24.
Artigo
Inglês
| MEDLINE | ID: mdl-37175454
17.
Meta-Analysis and Systematic Review of HLA DQ2/DQ8 in Adults with Celiac Disease.
Int J Mol Sci
; 24(2)2023 Jan 07.
Artigo
Inglês
| MEDLINE | ID: mdl-36674702
18.
Establishing the Role of Iridoids as Potential Kirsten Rat Sarcoma Viral Oncogene Homolog G12C Inhibitors Using Molecular Docking; Molecular Docking Simulation; Molecular Mechanics Poisson-Boltzmann Surface Area; Frontier Molecular Orbital Theory; Molecular Electrostatic Potential; and Absorption, Distribution, Metabolism, Excretion, and Toxicity Analysis.
Molecules
; 28(13)2023 Jun 28.
Artigo
Inglês
| MEDLINE | ID: mdl-37446713
19.
Determination of Chemical Composition and Investigation of Biological Activities of Ocimum basilicum L.
Molecules
; 28(2)2023 Jan 06.
Artigo
Inglês
| MEDLINE | ID: mdl-36677672
20.
Comparing the safety and effectiveness of various umbilical cord milking techniques and delayed cord clamping in full-term and preterm infants: A systematic review and meta-analysis.
Afr J Reprod Health
; 27(11): 99-125, 2023 Nov 30.
Artigo
Inglês
| MEDLINE | ID: mdl-38053339