POVME: an algorithm for measuring binding-pocket volumes.
about
LSD1/CoREST is an allosteric nanoscale clamp regulated by H3-histone-tail molecular recognition.Novel allosteric sites on Ras for lead generationComplete mapping of substrate translocation highlights the role of LeuT N-terminal segment in regulating transport cycleStructural insights into E. coli porphobilinogen deaminase during synthesis and exit of 1-hydroxymethylbilaneAn ordered water channel in Staphylococcus aureus FabI: unraveling the mechanism of substrate recognition and reduction.Applying Molecular Dynamics Simulations to Identify Rarely Sampled Ligand-bound Conformational States of Undecaprenyl Pyrophosphate Synthase, an Antibacterial TargetBiochemical, Structural and Molecular Dynamics Analyses of the Potential Virulence Factor RipA from Yersinia pestisInduced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor bindingInsights into Distinct Modulation of 7 and 7 2 Nicotinic Acetylcholine Receptors by the Volatile Anesthetic IsofluranePeriaxin and AHNAK Nucleoprotein 2 Form Intertwined Homodimers through Domain SwappingTaxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate siteStructure of matrix metalloproteinase-3 with a platinum-based inhibitorBoosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal StructuresSubstrate tunnels in enzymes: structure-function relationships and computational methodologyComputer-aided drug discovery approach finds calcium sensitizer of cardiac troponinAutoClickChem: click chemistry in silicoPlasticity of 150-loop in influenza neuraminidase explored by Hamiltonian replica exchange molecular dynamics simulationsLocking the 150-cavity open: in silico design and verification of influenza neuraminidase inhibitorsUtilizing a dynamical description of IspH to aid in the development of novel antimicrobial drugsSelectivity by small-molecule inhibitors of protein interactions can be driven by protein surface fluctuationsOptimal ligand descriptor for pocket recognition based on the Beta-shapeThe Mechanism by which 146-N-Glycan Affects the Active Site of NeuraminidaseSlow-Onset Inhibition of Mycobacterium tuberculosis InhA: Revealing Molecular Determinants of Residence Time by MD SimulationsPyrone-Based Inhibitors of Metalloproteinase Types 2 and 3 May Work as Conformation-Selective InhibitorsEmerging Computational Methods for the Rational Discovery of Allosteric Drugs.Analysis of the Contrasting Pathogenicities Induced by the D222G Mutation in 1918 and 2009 Pandemic Influenza A VirusesComputational methods in drug discovery.Mechanism of 150-cavity formation in influenza neuraminidase.Dynamics of Plasmodium falciparum enoyl-ACP reductase and implications on drug discovery.Calcium binding and allosteric signaling mechanisms for the sarcoplasmic reticulum Ca²+ ATPase.Insights from molecular dynamics: the binding site of cocaine in the dopamine transporter and permeation pathways of substrates in the leucine and dopamine transporters.Structural Study of a Flexible Active Site Loop in Human Indoleamine 2,3-Dioxygenase and Its Functional Implications.A single amino acid change humanizes long-chain fatty acid binding and activation of mouse peroxisome proliferator-activated receptor α.Dynamically-driven enhancement of the catalytic machinery of the SARS 3C-like protease by the S284-T285-I286/A mutations on the extra domain.Ligand-dependent activation and deactivation of the human adenosine A(2A) receptor.POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume CharacteristicsDynamic regulation of phenylalanine hydroxylase by simulated redox manipulationDFGmodel: predicting protein kinase structures in inactive states for structure-based discovery of type-II inhibitorsMembranes serve as allosteric activators of phospholipase A2, enabling it to extract, bind, and hydrolyze phospholipid substratesMDcons: Intermolecular contact maps as a tool to analyze the interface of protein complexes from molecular dynamics trajectories
P2860
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P2860
POVME: an algorithm for measuring binding-pocket volumes.
description
2010 nî lūn-bûn
@nan
2010 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
name
POVME: an algorithm for measuring binding-pocket volumes.
@ast
POVME: an algorithm for measuring binding-pocket volumes.
@en
type
label
POVME: an algorithm for measuring binding-pocket volumes.
@ast
POVME: an algorithm for measuring binding-pocket volumes.
@en
prefLabel
POVME: an algorithm for measuring binding-pocket volumes.
@ast
POVME: an algorithm for measuring binding-pocket volumes.
@en
P2860
P1476
POVME: an algorithm for measuring binding-pocket volumes.
@en
P2093
César Augusto F de Oliveira
P2860
P304
P356
10.1016/J.JMGM.2010.10.007
P577
2010-11-03T00:00:00Z