OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Biomolecular Structure & Dynamics is 31. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2020-11-01 to 2024-11-01.)

Article	Citations
Design of a multi-epitope-based vaccine targeting M-protein of SARS-CoV2: an immunoinformatics approach	62
Molecular docking and inhibition studies of vulpinic, carnosic and usnic acids on polyol pathway enzymes	62
ADOPT: automatic deep learning and optimization-based approach for detection of novel coronavirus COVID-19 disease using X-ray images	61
Novel inhibitors with sulfamethazine backbone: synthesis and biological study of multi-target cholinesterases and α-glucosidase inhibitors	59
Novel chalcones derivatives with potential antineoplastic activity investigated by docking and molecular dynamics simulations	53
Structure and dynamics of membrane protein in SARS-CoV-2	52
Methoxylated flavonols from Vellozia dasypus Seub ethyl acetate active myeloperoxidase extract: in vitro and in silico assays	51
In silico screening of phytopolyphenolics for the identification of bioactive compounds as novel protease inhibitors effective against SARS-CoV-2	51
Exploring the cancer-testis antigen BORIS to design a novel multi-epitope vaccine against breast cancer based on immunoinformatics approaches	48
In a search for potential drug candidates for combating COVID-19: computational study revealed salvianolic acid B as a potential therapeutic targeting 3CLpro and spike proteins	47
Identification of selective cyclin-dependent kinase 2 inhibitor from the library of pyrrolone-fused benzosuberene compounds: an in silico exploration	45
Identification of potential inhibitors for LLM ofStaphylococcus aureus: structure-based pharmacophore modeling, molecular dynamics, and binding free energy studies	45
Combined molecular docking and dynamics simulations studies of natural compounds as potent inhibitors against SARS-CoV-2 main protease	44
In-silico identification of new inhibitors for Low-density lipoprotein receptor-related protein6 (LRP6)	42
Withanolides from Withania somnifera as an immunity booster and their therapeutic options against COVID-19	40
Design, synthesis, molecular modeling, DFT, ADME and biological evaluation studies of some new 1,3,4-oxadiazole linked benzimidazoles as anticancer agents and aromatase inhibitors	39
Structure-based identification of potential SARS-CoV-2 main protease inhibitors	39
iGluK-Deep: computational identification of lysine glutarylation sites using deep neural networks with general pseudo amino acid compositions	38
Effect of Opuntia ficus indica extract on methotrexate-induced testicular injury: a biochemical, docking and histological study	37
Modeling and simulation of atrazine biodegradation in bacteria and its effect in other living systems	36
Determination of potential inhibitors based on isatin derivatives against SARS-CoV-2 main protease (m^pro): a molecular docking, molecular dynamics and structure-activity relationship studie	36
Virtual screening of phytoconstituents from miracle herbnigella sativatargeting nucleocapsid protein and papain-like protease of SARS-CoV-2 for COVID-19 treatment	36
Evaluation of traditional ayurvedic Kadha for prevention and management of the novel Coronavirus (SARS-CoV-2) using in silico approach	36
Predictive modeling and therapeutic repurposing of natural compounds against the receptor-binding domain of SARS-CoV-2	35
Cameroonian medicinal plants as potential candidates of SARS-CoV-2 inhibitors	35

Targeting SARS-CoV-2 nucleocapsid oligomerization: Insights from molecular docking and molecular dynamics simulations	34
Therapeutic strategies for Covid-19 based on molecular docking and dynamic studies to the ACE-2 receptors, Furin, and viral spike proteins	32
Immunoinformatic approach employing modeling and simulation to design a novel vaccine construct targeting MDR efflux pumps to confer wide protection against typhoidalSalmonellaserovars	32
Cordycepin: a bioactive metabolite of C ordyceps militaris and polyadenylation inhibitor with therapeutic potential against COVID-19	32
An integrative reverse vaccinology, immunoinformatic, docking and simulation approaches towards designing of multi-epitopes based vaccine against monkeypox virus	32
Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19	32
Identification of natural inhibitors against prime targets of SARS-CoV-2 using molecular docking, molecular dynamics simulation and MM-PBSA approaches	31