HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations. - Wikidata - awgldk - TriplyDB

HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations.

HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations.

http://www.wikidata.org/entity/Q31029932

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Visualization of early events in acetic acid denaturation of HIV-1 protease: a molecular dynamics study.A plausible mechanism for the antimalarial activity of artemisinin: A computational approach QwikMD - Integrative Molecular Dynamics Toolkit for Novices and Experts.Molecular dynamics study of the opening mechanism for DNA polymerase I Unique Flap Conformation in an HIV-1 Protease with High-Level Darunavir Resistance.Investigation of the Josephin Domain protein-protein interaction by molecular dynamics Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Effects of Hinge Region Natural Polymorphisms on Human Immunodeficiency Virus-1 Protease Structure, Dynamics and Drug-Pressure Evolution Comparison of multiple Amber force fields and development of improved protein backbone parameters The role of select subtype polymorphisms on HIV-1 protease conformational sampling and dynamics The unfolded state of the villin headpiece helical subdomain: computational studies of the role of locally stabilized structure The role of oligomerization and cooperative regulation in protein function: the case of tryptophan synthase Multiple routes and milestones in the folding of HIV-1 protease monomer Evidence that the Bacillus subtilis SpoIIGA protein is a novel type of signal-transducing aspartic protease The use of experimental structures to model protein dynamics Flap dynamics of plasmepsin proteases: insight into proposed parameters and molecular dynamics Structural dynamics of native and V260E mutant C-terminal domain of HIV-1 integrase.A poke in the eye: inhibiting HIV-1 protease through its flap-recognition pocket The Confine-and-Release Method: Obtaining Correct Binding Free Energies in the Presence of Protein Conformational Change HIV-1 protease substrate binding and product release pathways explored with coarse-grained molecular dynamics.Substrate binding and formation of an occluded state in the leucine transporter.Kinetic characterization of the critical step in HIV-1 protease maturation Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitors.Impact of Genetic Variations in HIV-1 Tat on LTR-Mediated Transcription via TAR RNA Interaction Mechanism of the Association Pathways for a Pair of Fast and Slow Binding Ligands of HIV-1 Protease.Strength of hydrogen bond network takes crucial roles in the dissociation process of inhibitors from the HIV-1 protease binding pocket.Co-lethality studied as an asset against viral drug escape: the HIV protease case.Solution structure of HIV-1 protease flaps probed by comparison of molecular dynamics simulation ensembles and EPR experiments.An allosteric modulator of HIV-1 protease shows equipotent inhibition of wild-type and drug-resistant proteases Structural mass spectrometry: rapid methods for separation and analysis of peptide natural products Recent Developments in Molecular Simulation Approaches to Study Spherical Virus Capsids.T-Analyst: a program for efficient analysis of protein conformational changes by torsion angles The role of human Dicer-dsRBD in processing small regulatory RNAs Gated binding of ligands to HIV-1 protease: Brownian dynamics simulations in a coarse-grained model.Structure-affinity properties of a high-affinity ligand of FKBP12 studied by molecular simulations of a binding intermediate Conformation of inhibitor-free HIV-1 protease derived from NMR spectroscopy in a weakly oriented solution Defective hydrophobic sliding mechanism and active site expansion in HIV-1 protease drug resistant variant Gly48Thr/Leu89Met: mechanisms for the loss of saquinavir binding potency A strategy for reducing gross errors in the generalized Born models of implicit solvation.Insights into the dynamics of HIV-1 protease: a kinetic network model constructed from atomistic simulations.Improved Generalized Born Solvent Model Parameters for Protein Simulations.

P2860

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P2860

HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations.

http://www.wikidata.org/entity/Q31029932

description

2006 nî lūn-bûn

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2006 թուականի Յունուարին հրատարակուած գիտական յօդուած

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2006 թվականի հունվարին հրատարակված գիտական հոդված

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2006年の論文

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2006年論文

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2006年論文

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2006年論文

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2006年論文

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2006年論文

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2006年论文

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name

HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations.

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HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations.

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type

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HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations.

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HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations.

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prefLabel

HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations.

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HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations.

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Proceedings of the National Academy of Sciences of the United States of America

P1476

HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations.

@en

P2093

Asim Okur

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

Carlos Simmerling

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

Robert C Rizzo

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Viktor Hornak

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P2860

HIV-1 protease molecular dynamics of a wild-type and of the V82F/I84V mutant: possible contributions to drug resistance and a potential new target site for drugs

The three-dimensional structure of the aspartyl protease from the HIV-1 isolate BRU

Conserved folding in retroviral proteases: crystal structure of a synthetic HIV-1 protease

Three-dimensional structure of aspartyl protease from human immunodeficiency virus HIV-1

X-ray analysis of HIV-1 proteinase at 2.7 A resolution confirms structural homology among retroviral enzymes

Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution

Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors

The Amber biomolecular simulation programs

Solvent viscosity dependence of the folding rate of a small protein: distributed computing study

Development and testing of a general amber force field

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915-920

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16418268

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molecular dynamics simulation

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1347991

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