Related references
Note: Only part of the references are listed.Coumarin derivative as a potent drug candidate against triple negative breast cancer targeting the frizzled receptor of wingless-related integration site signaling pathway
Akshay Uttarkar et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2023)
A highly accurate metadynamics-based Dissociation Free Energy method to calculate protein-protein and protein-ligand binding potencies
Jing Wang et al.
SCIENTIFIC REPORTS (2022)
Novel small molecules targeting bZIP23 TF improve stomatal conductance and photosynthesis under mild drought stress by regulating ABA
P. A. Vanitha et al.
FEBS JOURNAL (2022)
Brefeldin A variant via combinatorial screening acts as an effective antagonist inducing structural modification in EPAC2
Akshay Uttarkar et al.
MOLECULAR SIMULATION (2022)
Molecular Docking and Interaction Studies of Identified Abscisic Acid Re-ceptors in Oryza sativa: An In-Silico Perspective on Comprehending Stress Tolerance Mechanisms
Vidya Niranjan et al.
CURRENT GENOMICS (2021)
Spiro Benzodiazepine Substituted Fluorocoumarins as Potent Anti-Anxiety Agents
Dayanand Patagar et al.
RUSSIAN JOURNAL OF BIOORGANIC CHEMISTRY (2021)
MutVis: Automated framework for analysis and visualization of mutational signatures in pathogenic bacterial strains
Akshatha Prasanna et al.
INFECTION GENETICS AND EVOLUTION (2021)
The InterPro protein families and domains database: 20 years on
Matthias Blum et al.
NUCLEIC ACIDS RESEARCH (2021)
PubChem in 2021: new data content and improved web interfaces
Sunghwan Kim et al.
NUCLEIC ACIDS RESEARCH (2021)
Mitogen activated protein kinase-1 and cell division control protein-42 are putative targets for the binding of novel natural lead molecules: a therapeutic intervention against Candida albicans
Dharshini Gopal et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2020)
Natural epiestriol-16 act as potential lead molecule against prospective molecular targets of multidrug resistant Acinetobacter baumannii-Insight from in silico modelling and in vitro investigations
Sinosh Skariyachan et al.
INFECTION GENETICS AND EVOLUTION (2020)
Ligand binding free-energy calculations with funnel metadynamics
Stefano Raniolo et al.
NATURE PROTOCOLS (2020)
Response regulator GacA and transcriptional activator RhlR proteins involved in biofilm formation of Pseudomonas aeruginosa are prospective targets for natural lead molecules: Computational modelling, molecular docking and dynamic simulation studies
Sinosh Skariyachan et al.
INFECTION GENETICS AND EVOLUTION (2020)
Using metadynamics to explore complex free-energy landscapes
Giovanni Bussi et al.
NATURE REVIEWS PHYSICS (2020)
Mycobacterial Aminoglycoside Acetyltransferases: A Little of Drug Resistance, and a Lot of Other Roles
Fernando Sanz-Garcia et al.
FRONTIERS IN MICROBIOLOGY (2019)
An amplicon-based sequencing framework for accurately measuring intrahost virus diversity using PrimalSeq and iVar
Nathan D. Grubaugh et al.
GENOME BIOLOGY (2019)
Classification of Mycobacterium tuberculosis DR, MDR, XDR Isolates and Identification of Signature Mutation Pattern of Drug Resistance
Akshatha Prasanna et al.
BIOINFORMATION (2019)
Overcoming Aminoglycoside Enzymatic Resistance: Design of Novel Antibiotics and Inhibitors
Sandra G. Zarate et al.
MOLECULES (2018)
The Galaxy platform for accessible, reproducible and collaborative biomedical analyses: 2018 update
Enis Afgan et al.
NUCLEIC ACIDS RESEARCH (2018)
Evaluation of tools for long read RNA-seq splice-aware alignment
Kresimir Krizanovic et al.
BIOINFORMATICS (2018)
BBMerge - Accurate paired shotgun read merging via overlap
Brian Bushnell et al.
PLOS ONE (2017)
Aminoglycoside resistance profile and structural architecture of the aminoglycoside acetyltransferase AAC(6′)-Im
Clyde A. Smith et al.
MICROBIAL CELL (2017)
Antimicrobial resistance in Mycobacterium tuberculosis: mechanistic and evolutionary perspectives
Sebastian M. Gygli et al.
FEMS MICROBIOLOGY REVIEWS (2017)
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
Edward Harder et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Mechanisms of Antibiotic Resistance
Jose M. Munita et al.
MICROBIOLOGY SPECTRUM (2016)
InterProScan 5: genome-scale protein function classification
Philip Jones et al.
BIOINFORMATICS (2014)
Structural Characterization of a Gcn5-Related N-Acetyltransferase from Staphylococcus aureus
Parul Srivastava et al.
PLOS ONE (2014)
Tuberculosis vaccines - rethinking the current paradigm
Peter Andersen et al.
TRENDS IN IMMUNOLOGY (2014)
Interferon-gamma release assays for tuberculosis: current and future applications
Muhunthan Thillai et al.
EXPERT REVIEW OF RESPIRATORY MEDICINE (2014)
Systems approaches to studying the immune response in tuberculosis
Matthew Paul Reddoch Berry et al.
CURRENT OPINION IN IMMUNOLOGY (2013)
Strategies to overcome the action of aminoglycoside-modifying enzymes for treating resistant bacterial infections
Kristin J. Labby et al.
FUTURE MEDICINAL CHEMISTRY (2013)
Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciences
Art D. Bochevarov et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2013)
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
G. Madhavi Sastry et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2013)
A program for annotating and predicting the effects of single nucleotide polymorphisms, SnpEff: SNPs in the genome of Drosophila melanogaster strain w1118; iso-2; iso-3
Pablo Cingolani et al.
FLY (2012)
Tuberculosis, Drug Resistance, and the History of Modern Medicine
Salmaan Keshavjee et al.
NEW ENGLAND JOURNAL OF MEDICINE (2012)
PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKa Predictions
Mats H. M. Olsson et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Aminoglycoside modifying enzymes
Maria S. Ramirez et al.
DRUG RESISTANCE UPDATES (2010)
The Past and Future of Tuberculosis Research
Inaki Comas et al.
PLOS PATHOGENS (2009)
Epik:: a software program for pK a prediction and protonation state generation for drug-like molecules
John C. Shelley et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2007)
Blast2GO:: a universal tool for annotation, visualization and analysis in functional genomics research
A Conesa et al.
BIOINFORMATICS (2005)
A hierarchical approach to all-atom protein loop prediction
MP Jacobson et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2004)
Glide: A new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy
RA Friesner et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
Glide: A new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening
TA Halgren et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
The effect of initial drug resistance on treatment response and acquired drug resistance during standardized short-course chemotherapy for tuberculosis
KJ Seung et al.
CLINICAL INFECTIOUS DISEASES (2004)
Escaping free-energy minima
A Laio et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2002)
Structure and dynamics of the TIP3P, SPC, and SPC/E water models at 298 K
P Mark et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Overexpression and characterization of the chromosomal aminoglycoside 2′-N-acetyltransferase of Providencia stuartii
K Franklin et al.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY (2001)
Mutations in the beginning of the rpoB gene can induce resistance to rifamycins in both Helicobacter pylori and Mycobacterium tuberculosis
M Heep et al.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY (2000)