PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations - Test2 - elhamkhani - TriplyDB

PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations

PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations

http://www.wikidata.org/entity/Q27861014

about

Prediction of co-receptor usage of HIV-1 from genotype Charged residues distribution modulates selectivity of the open state of human isoforms of the voltage dependent anion-selective channel Crystal structure, SAXS and kinetic mechanism of hyperthermophilic ADP-dependent glucokinase from Thermococcus litoralis reveal a conserved mechanism for catalysis Evolution of complex RNA polymerases: the complete archaeal RNA polymerase structure Side chain specificity of ADP-ribosylation by a sirtuin Structure of human PIR1, an atypical dual-specificity phosphatase Substrate recognition by complement convertases revealed in the C5-cobra venom factor complex Structure of the surface layer of the methanogenic archaean Methanosarcina acetivorans Direct structural insight into the substrate-shuttling mechanism of yeast fatty acid synthase by electron cryomicroscopy Molecular and mesoscale mechanisms of osteogenesis imperfecta disease in collagen fibrils Structure of the fungal beta-glucan-binding immune receptor dectin-1: implications for function Solution structure of the COMMD1 N-terminal domain Psalmotoxin-1 docking to human acid-sensing ion channel-1 Mechanism of poly(A) polymerase: structure of the enzyme-MgATP-RNA ternary complex and kinetic analysis PCE: web tools to compute protein continuum electrostatics MEDock: a web server for efficient prediction of ligand binding sites based on a novel optimization algorithm MEPPitope: spatial, electrostatic and secondary structure perturbations in the post-fusion Dengue virus envelope protein highlights known epitopes and conserved residues in the Zika virus Protein corona - from molecular adsorption to physiological complexity Protein-protein complexation in bioluminescence The Allosteric Site for the Nascent Cell Wall in Penicillin-Binding Protein 2a: An Achilles' Heel of Methicillin-Resistant Staphylococcus aureus Structure, dynamics, and interaction of Mycobacterium tuberculosis (Mtb) DprE1 and DprE2 examined by molecular modeling, simulation, and electrostatic studies The BR domain of PsrP interacts with extracellular DNA to promote bacterial aggregation; structural insights into pneumococcal biofilm formation.Systems modelling of NHEJ reveals the importance of redox regulation of Ku70/80 in the dynamics of dna damage foci Novel allosteric sites on Ras for lead generation Novel African trypanocidal agents: membrane rigidifying peptides Minimum free energy path of ligand-induced transition in adenylate kinase Multiscale method for modeling binding phenomena involving large objects: application to kinesin motor domains motion along microtubules.The distinct conformational dynamics of K-Ras and H-Ras A59G Diffusion, crowding & protein stability in a dynamic molecular model of the bacterial cytoplasm Antigenic Variation of East/Central/South African and Asian Chikungunya Virus Genotypes in Neutralization by Immune Sera Atomic-resolution crystal structure of thioredoxin from the acidophilic bacterium Acetobacter aceti Crystal Structure of the Vibrio cholerae Quorum-Sensing Regulatory Protein HapR Crystal Structures of Mouse CD1d-iGb3 Complex and its Cognate Vα14 T Cell Receptor Suggest a Model for Dual Recognition of Foreign and Self Glycolipids A buried lysine that titrates with a normal pKa: Role of conformational flexibility at the protein-water interface as a determinant of pKavalues Shared traits on the reaction coordinates of ribonuclease and an RNA enzyme Structural and mechanistic insights into type II trypanosomatid tryparedoxin-dependent peroxidases Structure of Yeast Poly(A) Polymerase in Complex with a Peptide from Fip1, an Intrinsically Disordered Protein † ‡Short strong hydrogen bonds in proteins: a case study of rhamnogalacturonan acetylesterase.Structural Analysis of the Interactions Between Paxillin LD Motifs and α-Parvin The crystal structure of avian CD1 reveals a smaller, more primordial antigen-binding pocket compared to mammalian CD1

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PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations

http://www.wikidata.org/entity/Q27861014

description

2004 nî lūn-bûn

@nan

2004 թուականի Յուլիսին հրատարակուած գիտական յօդուած

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2004 թվականի հուլիսին հրատարակված գիտական հոդված

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2004年の論文

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2004年論文

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2004年論文

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2004年論文

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2004年論文

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PDB2PQR: an automated pipeline ...... nn electrostatics calculations

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PDB2PQR: an automated pipeline ...... nn electrostatics calculations

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Nucleic Acids Research

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PDB2PQR: an automated pipeline ...... nn electrostatics calculations

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Jens E Nielsen

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

Todd J Dolinsky

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P2860

Electrostatics of nanosystems: application to microtubules and the ribosome

Implicit solvent models

Classical electrostatics in biology and chemistry

Rapid grid-based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: applications to the molecular systems and geometric objects

Positioning hydrogen atoms by optimizing hydrogen-bond networks in protein structures.

The distribution and query systems of the RCSB Protein Data Bank.

Optimizing the hydrogen-bond network in Poisson-Boltzmann equation-based pK(a) calculations.

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W665-7

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scholarly article

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978689

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10.1093/NAR/GKH381

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Web Server issue

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32

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J. Andrew McCammon

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2004-07-01T00:00:00Z

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8493726

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15215472

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441519

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