Wordom: a user-friendly program for the analysis of molecular structures, trajectories, and free energy surfaces. - Wikidata - wikimedia - TriplyDB

Wordom: a user-friendly program for the analysis of molecular structures, trajectories, and free energy surfaces.

Wordom: a user-friendly program for the analysis of molecular structures, trajectories, and free energy surfaces.

http://www.wikidata.org/entity/Q30400556

about

Modeling ligand recognition at the P2Y12 receptor in light of X-ray structural information.Structural model of the dimeric Parkinson's protein LRRK2 reveals a compact architecture involving distant interdomain contacts Beyond the binding site: the role of the β₂-β₃ loop and extra-domain structures in PDZ domains Network and atomistic simulations unveil the structural determinants of mutations linked to retinal diseases.Molecular dynamics study of HIV-1 RT-DNA-nevirapine complexes explains NNRTI inhibition and resistance by connection mutations The construction of an amino acid network for understanding protein structure and function.WebPSN: a web server for high-throughput investigation of structural communication in biomacromolecules.Integrating atomistic molecular dynamics simulations, experiments, and network analysis to study protein dynamics: strength in unity.Structure and Function in Homodimeric Enzymes: Simulations of Cooperative and Independent Functional Motions.DNA-binding protects p53 from interactions with cofactors involved in transcription-independent functions.Exploring the mechanism of F282L mutation-caused constitutive activity of GPCR by a computational study.Different dynamics and pathway of disulfide bonds reduction of two human defensins, a molecular dynamics simulation study.An optimal distance cutoff for contact-based Protein Structure Networks using side-chain centers of mass.Paths of long-range communication in the E2 enzymes of family 3: a molecular dynamics investigation.Stable single α-helices are constant force springs in proteins Variational Optimization of an All-Atom Implicit Solvent Force Field to Match Explicit Solvent Simulation Data.Mechanisms of intramolecular communication in a hyperthermophilic acylaminoacyl peptidase: a molecular dynamics investigation.Optimization of designed armadillo repeat proteins by molecular dynamics simulations and NMR spectroscopy.Calcineurin A versus NS5A-TP2/HD domain containing 2: a case study of site-directed low-frequency random mutagenesis for dissecting target specificity of peptide aptamers Two pathways mediate interdomain allosteric regulation in pin1 The structure of neuronal calcium sensor-1 in solution revealed by molecular dynamics simulations Single molecule analysis of functionally asymmetric G protein-coupled receptor (GPCR) oligomers reveals diverse spatial and structural assemblies.Insights into the mechanism of C5aR inhibition by PMX53 via implicit solvent molecular dynamics simulations and docking Communication routes in ARID domains between distal residues in helix 5 and the DNA-binding loops.ApoE4-specific Misfolded Intermediate Identified by Molecular Dynamics Simulations.Disordered binding of small molecules to Aβ(12-28).Dissecting protein architecture with communication blocks and communicating segment pairs.mDCC_tools: characterizing multi-modal atomic motions in molecular dynamics trajectories Exploring Flexibility of Progesterone Receptor Ligand Binding Domain Using Molecular Dynamics.Free energy surface of the Michaelis complex of lactate dehydrogenase: a network analysis of microsecond simulations Myosin MyTH4-FERM structures highlight important principles of convergent evolution.Protein Allostery and Conformational Dynamics.Computational allosteric ligand binding site identification on Ras proteins.Computational investigation of conformational variability and allostery in cathepsin K and other related peptidases.Molecular Modeling of Transporters: From Low Resolution Cryo-Electron Microscopy Map to Conformational Exploration. The Example of TSPO.One amino acid makes a difference-Characterization of a new TPMT allele and the influence of SAM on TPMT stability.Molecular mechanism of Mg2+-dependent gating in CorA.Characterization of the flexibility of the peripheral stalk of prokaryotic rotary A-ATPases by atomistic simulations.Characterization of long and stable de novo single alpha-helix domains provides novel insight into their stability.C(α) torsion angles as a flexible criterion to extract secrets from a molecular dynamics simulation.

P2860

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P2860

Wordom: a user-friendly program for the analysis of molecular structures, trajectories, and free energy surfaces.

http://www.wikidata.org/entity/Q30400556

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

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2010年論文

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2010年論文

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2010年論文

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2010年論文

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2010年論文

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2010年论文

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name

Wordom: a user-friendly progra ...... ies, and free energy surfaces.

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Wordom: a user-friendly progra ...... ies, and free energy surfaces.

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type

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Wordom: a user-friendly progra ...... ies, and free energy surfaces.

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Wordom: a user-friendly progra ...... ies, and free energy surfaces.

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Wordom: a user-friendly progra ...... ies, and free energy surfaces.

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P1433

Journal of Computational Chemistry

P1476

Wordom: a user-friendly progra ...... ies, and free energy surfaces.

@en

P2093

Amedeo Caflisch

http://www.w3.org/2001/XMLSchema#string

Angelo Felline

http://www.w3.org/2001/XMLSchema#string

Francesco Raimondi

http://www.w3.org/2001/XMLSchema#string

Francesco Rao

http://www.w3.org/2001/XMLSchema#string

Ran Friedman

http://www.w3.org/2001/XMLSchema#string

P2860

A note on two problems in connexion with graphs

CHARMM: the biomolecular simulation program

WEBnm@: a web application for normal mode analyses of proteins

Estimating mutual information

VMD: visual molecular dynamics

Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

The Amber biomolecular simulation programs

CATH--a hierarchic classification of protein domain structures

Continuum secondary structure captures protein flexibility

ARVO: A Fortran package for computing the solvent accessible surface area and the excluded volume of overlapping spheres via analytic equations

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1183-1194

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scholarly article

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10.1002/JCC.21688

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6

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32

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2010-11-29T00:00:00Z

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50349446

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21387345

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3151548

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