In silico structural, phylogenetic and drug target analysis of putrescine monooxygenase from Shewanella putrefaciens-95.
PMID:35412199
Structural analysis of M1AP variants associated with severely impaired spermatogenesis causing male infertility.
PMID:35341049
Structural heterogeneity assessment among the isoforms of fungal 1-aminocyclopropane-1-carboxylic acid (ACC) deaminase: a comparative in silico perspective.
PMID:35103879
Molecular interaction of nitrate transporter proteins with recombinant glycinebetaine results in efficient nitrate uptake in the cyanobacterium Anabaena PCC 7120.
PMID:34793479
Epitope-specific anti-PrP antibody toxicity: a comparative in-silico study of human and mouse prion proteins.
PMID:34632945
A computational study on hydroxychloroquine binding to target proteins related to SARS-COV-2 infection.
PMID:34458558
Computational study to discover potent phytochemical inhibitors against drug target, squalene synthase from Leishmania donovani.
PMID:34141935
Heterologous expression of cyanobacterial PCS confers augmented arsenic and cadmium stress tolerance and higher artemisinin in Artemisia annua hairy roots.
PMID:34122662
Structural characterization and in vitro lipid binding studies of non-specific lipid transfer protein 1 (nsLTP1) from fennel (Foeniculum vulgare) seeds.
PMID:33277525
Genome-wide analysis of HSP90 gene family in the Mediterranean olive (Olea europaea subsp. europaea) provides insight into structural patterns, evolution and functional diversity.
PMID:33268931
Applying computer simulations in battling with COVID-19, using pre-analyzed molecular and chemical data to face the pandemic.
PMID:33102687
Homology modeling and molecular dynamics based insights into Chalcone synthase and Chalcone isomerase in Phyllanthus emblica L.
PMID:32832333
Modeling and simulation study to identify threonine synthase as possible drug target in Leishmania major.
PMID:32737682
Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants.
PMID:32296570
Computational prediction of active sites and ligands in different AHL quorum quenching lactonases and acylases.
PMID:32020908
Establishment of the experimental procedure for prediction of conjugation capacity in mutant UGT1A1.
PMID:31730632
Facilities that make the PDB data collection more powerful.
PMID:31724231
Hierarchical-Clustering, Scaffold-Mining Exercises and Dynamics Simulations for Effectual Inhibitors Against Lipid-A Biosynthesis of Helicobacter pylori.
PMID:31719913
Voltage vs. Ligand II: Structural insights of the intrinsic flexibility in cyclic nucleotide-gated channels.
PMID:31552786
Molecular modelling and docking of Mus musculus HMGB1 inflammatory protein with CGA.
PMID:31485132
Roles of Active-Site Aromatic Residues in Cold Adaptation of Sphingomonas glacialis Esterase EstSP1.
PMID:31457406
Cloning and Characterization of a Chondroitin AC Exolyase from Arthrobacter sp. SD-04.
PMID:31444737
Identification of lead molecules against potential drug target protein MAPK4 from L. donovani: An in-silico approach using docking, molecular dynamics and binding free energy calculation.
PMID:31425543
Biochemical and structural characterization of tyrosine aminotransferase suggests broad substrate specificity and a two-state folding mechanism in Leishmania donovani.
PMID:31393078
Genome-wide mining of respiratory burst homologs and its expression in response to biotic and abiotic stresses in Triticum aestivum.
PMID:31140145
Dynamic analysis of human tyrosinase intra-melanosomal domain and mutant variants to further understand oculocutaneous albinism type 1.
PMID:30868138
Purification and Characterization of a Nonspecific Lipid Transfer Protein 1 (nsLTP1) from Ajwain (Trachyspermum ammi) Seeds.
PMID:30858403
Genome-wide identification and characterization of gene family for RWP-RK transcription factors in wheat (Triticum aestivum L.).
PMID:30540790
In silico Prediction, Characterization, Molecular Docking, and Dynamic Studies on Fungal SDRs as Novel Targets for Searching Potential Fungicides Against Fusarium Wilt in Tomato.
PMID:30405403
Immunoinformatics Approach for Epitope-Based Peptide Vaccine Design and Active Site Prediction against Polyprotein of Emerging Oropouche Virus.
PMID:30402510
eModel-BDB: a database of comparative structure models of drug-target interactions from the Binding Database.
PMID:30052959
Molecular modeling, docking and protein-protein interaction analysis of MAPK signalling cascade involved in Camalexin biosynthesis in Brassica rapa.
PMID:29983484
Computational prediction of vaccine potential epitopes and 3-dimensional structure of XAGE-1b for non-small cell lung cancer immunotherapy.
PMID:29866600
A new insight into identification of in silico analysis of natural compounds targeting GPR120.
PMID:29780684
Comparative genome analysis of Alkhumra hemorrhagic fever virus with Kyasanur forest disease and tick-borne encephalitis viruses by the in silico approach.
PMID:29745301
Structural and functional dissection of differentially expressed tomato WRKY transcripts in host defense response against the vascular wilt pathogen (Fusarium oxysporum f. sp. lycopersici).
PMID:29709017
The ins and outs of vesicular monoamine transporters.
PMID:29666153
Molecular details of secretory phospholipase A2 from flax (Linum usitatissimum L.) provide insight into its structure and function.
PMID:28894144
Structural and Functional Insights into WRKY3 and WRKY4 Transcription Factors to Unravel the WRKY-DNA (W-Box) Complex Interaction in Tomato (Solanum lycopersicum L.). A Computational Approach.
PMID:28611792
Insight into SNPs and epitopes of E protein of newly emerged genotype-I isolates of JEV from Midnapur, West Bengal, India.
PMID:28264652
Insights using the molecular model of Lipoxygenase from Finger millet (Eleusine coracana (L.)).
PMID:28149050
Cation Interactions and Membrane Potential Induce Conformational Changes in NaPi-IIb.
PMID:27602725
CryGetter: a tool to automate retrieval and analysis of Cry protein data.
PMID:27578522
In silico Prediction and Docking of Tertiary Structure of LuxI, an Inducer Synthase of Vibrio fischeri.
PMID:27536699
Identification of a Herbal Powder by Deoxyribonucleic Acid Barcoding and Structural Analyses.
PMID:27013796
Inhibition of Mycobacterium-RmlA by Molecular Modeling, Dynamics Simulation, and Docking.
PMID:26981117
The bacterial dicarboxylate transporter VcINDY uses a two-domain elevator-type mechanism.
PMID:26828963
Deciphering the signaling mechanisms of the plant cell wall degradation machinery in Aspergillus oryzae.
PMID:26573537
Repeat-swap homology modeling of secondary active transporters: updated protocol and prediction of elevator-type mechanisms.
PMID:26388773
3D structure prediction of human β1-adrenergic receptor via threading-based homology modeling for implications in structure-based drug designing.
PMID:25860348
Modeling, molecular dynamics, and docking assessment of transcription factor rho: a potential drug target in Brucella melitensis 16M.
PMID:25848225
Optimal ligand descriptor for pocket recognition based on the Beta-shape.
PMID:25835497
Computational identification and binding analysis of orphan human cytochrome P450 4X1 enzyme with substrates.
PMID:25595103
Characterization of the differences in the cyclopiazonic acid binding mode to mammalian and P. Falciparum Ca2+ pumps: a computational study.
PMID:25581715
Protein modeling and molecular dynamics simulation of the two novel surfactant proteins SP-G and SP-H.
PMID:25381619
Titanium dioxide nanoparticles as guardian against environmental carcinogen benzo[alpha]pyrene.
PMID:25215666
Understanding the interaction determinants of CAPN1 inhibition by CAST4 from bovines using molecular modeling techniques.
PMID:25215589
Bioinformatics approaches for structural and functional analysis of proteins in secondary metabolism in Withania somnifera.
PMID:25085038
Molecular modeling of the Plasmodium falciparum pre-mRNA splicing and nuclear export factor PfU52.
PMID:24861003
Homology modeling study of bovine μ-calpain inhibitor-binding domains.
PMID:24806345
Genome wide survey and molecular modeling of hypothetical proteins containing 2Fe-2S and FMN binding domains suggests Rieske Dioxygenase Activity highlighting their potential roles in bioremediation.
PMID:24616557
Computational studies on sirtuins from Trypanosoma cruzi: structures, conformations and interactions with phytochemicals.
PMID:24551254
Flexible gates generate occluded intermediates in the transport cycle of LacY.
PMID:24513108
In silico modeling and functional interpretations of Cry1Ab15 toxin from Bacillus thuringiensis BtB-Hm-16.
PMID:24228249
in-silico characterization of β-(1, 3)-endoglucanase (ENGL1) from Aspergillus fumigatus by homology modeling and docking studies.
PMID:24143049
Exploring N(1)-p-fluorobenzyl-cymserine as an inhibitor of 5-lipoxygenase as a candidate for type 2 diabetes and neurodegenerative disorder treatment.
PMID:24059322
Molecular models and mutational analyses of plant specifier proteins suggest active site residues and reaction mechanism.
PMID:23999604
Evolution of the key alkaloid enzyme putrescine N-methyltransferase from spermidine synthase.
PMID:23908659
Computational protein structure modeling and analysis of UV-B stress protein in Synechocystis PCC 6803.
PMID:23904742
Homology modeling and structural comparison of leucine rich repeats of Toll like receptors 1-10 of ruminants.
PMID:23812948
Computational identification and analysis of arsenate reductase protein in Cronobacter sakazakii ATCC BAA-894 suggests potential microorganism for reducing arsenate.
PMID:23666632
Gene identification and comparative molecular modeling of a Trypanosoma rangeli major surface protease.
PMID:23584556
The activity of prolactin releasing peptide correlates with its helicity.
PMID:23426574
Computational identification of a transiently open L1/S3 pocket for reactivation of mutant p53.
PMID:23360998
Analysis of multi-domain hypothetical proteins containing iron-sulphur clusters and fad ligands reveal rieske dioxygenase activity suggesting their plausible roles in bioremediation.
PMID:23275712
Homology Modeling and Functional Characterization of PR-1a Protein of Hordeum vulgare subsp. Vulgare.
PMID:23139589
"SP-G", a putative new surfactant protein--tissue localization and 3D structure.
PMID:23094088
Homology modeling and functional annotation of bubaline pregnancy associated glycoprotein 2.
PMID:22958467
Common and distant structural characteristics of feruloyl esterase families from Aspergillus oryzae.
PMID:22745763
Disulphide bridges of phospholipase C of Chlamydomonas reinhardtii modulates lipid interaction and dimer stability.
PMID:22737232
Structure based virtual screening of novel inhibitors against multidrug resistant superbugs.
PMID:22715312
Modeling of the Full-Size 3D Structure of Human Chaperone Hsp70 and Study of Its Interdomain Interactions.
PMID:22649666
Prediction of the three-dimensional structure of serine/threonine protein kinase pto of Solanum lycopersicum by homology modelling.
PMID:22493521
How well do the substrates KISS the enzyme? Molecular docking program selection for feruloyl esterases.
PMID:22435086
Comparative modeling and molecular docking of orphan human CYP4V2 protein with fatty acid substrates: Insights into substrate specificity.
PMID:22355237
Homology modeling, comparative genomics and functional annotation of Mycoplasma genitalium hypothetical protein MG_237.
PMID:22355225
Homology modeling of an antifungal metabolite plipastatin synthase from the Bacillus subtilis 168.
PMID:22347779
Evolution, expansion and expression of the Kunitz/BPTI gene family associated with long-term blood feeding in Ixodes Scapularis.
PMID:22244187
Molecular modeling and identification of substrate binding site of orphan human cytochrome P450 4F22.
PMID:22102778
Evaluation of model quality predictions in CASP9.
PMID:21997462
Comprehensively surveying structure and function of RING domains from Drosophila melanogaster.
PMID:21912646
Molecular dynamics simulations of the Bcl-2 protein to predict the structure of its unordered flexible loop domain.
PMID:21866316
Structure prediction and functional characterization of secondary metabolite proteins of Ocimum.
PMID:21769194
Virtual screening for potential inhibitors of homology modeled Leptospira interrogans MurD ligase.
PMID:21566738
Molecular modeling of human alkaline sphingomyelinase.
PMID:21544170
Identification of potential Leptospira phosphoheptose isomerase inhibitors through virtual high-throughput screening.
PMID:21382593
On the mechanism of chloroquine resistance in Plasmodium falciparum.
PMID:21124966
Optimizing structural modeling for a specific protein scaffold: knottins or inhibitor cystine knots.
PMID:21029427
Model of the complex of Parathyroid hormone-2 receptor and Tuberoinfundibular peptide of 39 residues.
PMID:20979597
A ClpP protein model as tuberculosis target for screening marine compounds.
PMID:20975890
Functionally important amino acids in the Arabidopsis thylakoid phosphate transporter: homology modeling and site-directed mutagenesis.
PMID:20565143
Bomapin is a redox-sensitive nuclear serpin that affects responsiveness of myeloid progenitor cells to growth environment.
PMID:20433722
Probing ligand binding modes of Mycobacterium tuberculosis MurC ligase by molecular modeling, dynamics simulation and docking.
PMID:19484275
Analysis of oligomeric proteins during unfolding by pH and temperature.
PMID:19205760
The evaluation of protein structure prediction results.
PMID:18071927
Evidence for myxobacterial origin of eukaryotic defensins.
PMID:18058146
Molecular modeling and characterization of Vibrio cholerae transcription regulator HlyU.
PMID:17116251