Related references
Note: Only part of the references are listed.Phosphopantetheine Adenylyltransferase: A promising drug target to combat antibiotic resistance
Akshita Gupta et al.
BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS (2021)
DNA triplex with conformationally locked sugar disintegrates to duplex: Insights from molecular simulations
Pradeep Pant et al.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2020)
Antibiotic-Resistant Acinetobacter baumannii Is Susceptible to the Novel Iron-Sequestering Anti-infective DIBI In Vitro and in Experimental Pneumonia in Mice
Maria del Carmen Parquet et al.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY (2019)
C5′ omitted DNA enhances bendability and protein binding
Pradeep Pant et al.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2019)
Accelerated Molecular Dynamics Simulation for Helical Proteins Folding in Explicit Water
Lili Duan et al.
FRONTIERS IN CHEMISTRY (2019)
Design, synthesis and glycosidase inhibition studies of novel triazole fused iminocyclitol-δ-lactams
Venkatesan Santhanam et al.
ORGANIC & BIOMOLECULAR CHEMISTRY (2019)
Molecular Dynamics Simulation for All
Scott A. Hollingsworth et al.
NEURON (2018)
Persistent nasal carriers of Acinetobacter baumannii in long-term-care facilities
Ming-Li Liou et al.
AMERICAN JOURNAL OF INFECTION CONTROL (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)
Dynamics and recognition within a protein-DNA complex: a molecular dynamics study of the SKN-1/DNA interaction
Loic Etheve et al.
NUCLEIC ACIDS RESEARCH (2016)
Emergence of antimicrobial resistance among Acinetobacter species: a global threat
Nina M. Clark et al.
CURRENT OPINION IN CRITICAL CARE (2016)
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
James A. Maier et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
The Phyre2 web portal for protein modeling, prediction and analysis
Lawrence A. Kelley et al.
NATURE PROTOCOLS (2015)
μABC: a systematic microsecond molecular dynamics study of tetranucleotide sequence effects in B-DNA
Marco Pasi et al.
NUCLEIC ACIDS RESEARCH (2014)
Recent Advances in Protein-Ligand Interactions: Molecular Dynamics Simulations and Binding Free Energy
Kshatresh Dutta Dubey et al.
CURRENT COMPUTER-AIDED DRUG DESIGN (2013)
PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
Daniel R. Roe et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (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)
Biomolecular Simulation: A Computational Microscope for Molecular Biology
Ron O. Dror et al.
ANNUAL REVIEW OF BIOPHYSICS, VOL 41 (2012)
LigPlot+: Multiple Ligand-Protein Interaction Diagrams for Drug Discovery
Roman A. Laskowski et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
RED Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments
Enguerran Vanquelef et al.
NUCLEIC ACIDS RESEARCH (2011)
Multidrug-resistant Acinetobacter baumannii: mechanisms of virulence and resistance
Nicola C. Gordon et al.
INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS (2010)
Characterization and Kinetics of Phosphopantothenoylcysteine Synthetase from Enterococcus faecalis
Jiangwei Yao et al.
BIOCHEMISTRY (2009)
Kinetic characterization of human phosphopantothenoylcysteine synthetase
Jiangwei Yao et al.
BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS (2009)
Selective Inhibitors of Bacterial Phosphopantothenoylcysteine Synthetase
James D. Patrone et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations
In Suk Joung et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Coenzyme A biosynthesis: an antimicrobial drug target
Christina Spry et al.
FEMS MICROBIOLOGY REVIEWS (2008)
Clustering molecular dynamics trajectories: 1. Characterizing the performance of different clustering algorithms
Jianyin Shao et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes
Richard A. Friesner et al.
JOURNAL OF MEDICINAL CHEMISTRY (2006)
Molecular dynamics: Survey of methods for simulating the activity of proteins
Stewart A. Adcock et al.
CHEMICAL REVIEWS (2006)
DrugBank: a comprehensive resource for in silico drug discovery and exploration
David S. Wishart et al.
NUCLEIC ACIDS RESEARCH (2006)
Converging free energy estimates: MM-PB(GB)SA studies on the protein-protein complex Ras-Raf
H Gohlke et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Structural basis of CTP-dependent peptide bond formation in coenzyme A biosynthesis catalyzed by Escherichia coli PPC synthetase
S Stanitzek et al.
STRUCTURE (2004)
Structure of human phosphopantothenoylcysteine synthetase at 2.3 Å resolution
N Manoj et al.
STRUCTURE (2003)
MD simulation of protein-ligand interaction:: Formation and dissociation of an insulin-phenol complex
W Swegat et al.
BIOPHYSICAL JOURNAL (2003)
From genetic Footprinting to antimicrobial drug targets: Examples in cofactor biosynthetic pathways
SY Gerdes et al.
JOURNAL OF BACTERIOLOGY (2002)
Modification of the generalized Born model suitable for macromolecules
A Onufriev et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2000)