Solution conformations and thermodynamics of structured peptides: molecular dynamics simulation with an implicit solvation model.
about
Energy landscape of a peptide consisting of alpha-helix, 3(10)-helix, beta-turn, beta-hairpin, and other disordered conformationsCHARMM: the biomolecular simulation programEfficient Atomistic Simulation of Pathways and Calculation of Rate Constants for a Protein-Peptide Binding Process: Application to the MDM2 Protein and an Intrinsically Disordered p53 Peptide.The Native GCN4 Leucine-Zipper Domain Does Not Uniquely Specify a Dimeric Oligomerization StateEffective energy function for proteins in solutionEvaluation of a fast implicit solvent model for molecular dynamics simulationsStatistical potentials for fold assessment.Configurational entropy elucidates the role of salt-bridge networks in protein thermostability.Towards the prediction of order parameters from molecular dynamics simulations in proteins.Poly(amidoamine) dendrimers on lipid bilayers I: Free energy and conformation of binding.Structural mechanism of the ATP-induced dissociation of rigor myosin from actinElectrospray ionization-mass spectrometry and tandem mass spectrometry reveal self-association and metal-ion binding of hydrophobic peptides: a study of the gramicidin dimerEuclidean sections of protein conformation space and their implications in dimensionality reduction.Beta-hairpin folding mechanism of a nine-residue peptide revealed from molecular dynamics simulations in explicit water.Accurate and efficient loop selections by the DFIRE-based all-atom statistical potential.Folding free energy function selects native-like protein sequences in the core but not on the surface.Molecular dynamics simulations of unfolding and refolding of a beta-hairpin fragment of protein GUse of allostery to identify inhibitors of calmodulin-induced activation of Bacillus anthracis edema factor.The role of the unfolded state in hairpin stability.Molecular mechanism for stabilizing a short helical peptide studied by generalized-ensemble simulations with explicit solvent.Generalized-ensemble algorithms for molecular simulations of biopolymers.Tunable, mixed-resolution modeling using library-based Monte Carlo and graphics processing units.Folding pathways of a knotted protein with a realistic atomistic force field.Role of Desolvation in Thermodynamics and Kinetics of Ligand Binding to a Kinase.Prediction of the structure of a silk-like protein in oligomeric states using explicit and implicit solvent models.Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide foldingA molecular dynamics study of the 41-56 beta-hairpin from B1 domain of protein GParallelization and improvements of the generalized born model with a simple sWitching function for modern graphics processors.A physical basis for protein secondary structure.Diffusive reaction dynamics on invariant free energy profiles.Folding simulations of a three-stranded antiparallel beta -sheet peptide.Motor domain phosphorylation and regulation of the Drosophila kinesin 13, KLP10A.Graph representation of protein free energy landscapeSlowing down single-molecule trafficking through a protein nanopore reveals intermediates for peptide translocationUnrestrained stochastic dynamics simulations of the UUCG tetraloop using an implicit solvation model.Computational protein design is a challenge for implicit solvation models.Parameterization of the Hamiltonian Dielectric Solvent (HADES) Reaction-Field Method for the Solvation Free Energies of Amino Acid Side-Chain Analogs.An experimentally guided umbrella sampling protocol for biomoleculesA generalized born implicit-membrane representation compared to experimental insertion free energies.Molecular mechanics of filamin's rod domain.
P2860
Q22061727-4924A193-BF77-467B-B635-4F08951C04A3Q24658108-DA679660-FC71-4308-B488-8DF5AE6B5C02Q27301215-F96E44D7-9C61-4CC0-95B5-48F532D32071Q27674900-79CE2D9B-56DE-4980-AAA6-B9FE72EFBBB2Q28142746-FD10ADEE-66D1-4D5E-A965-D7B9C6BB2378Q28211559-B4993C8E-1A33-4074-B227-3B45F6AFC4C3Q30329417-A6C68149-5DB9-4494-A8BF-0C939F64A782Q30362522-A11EF614-A27A-42B0-86B1-FF09F20FBFCCQ30416380-2FA80A90-DFE6-46F8-80E5-0DA56F6AAEF8Q30496206-E4573F68-5F7F-410B-8ECE-5D5F911048B9Q30500220-A753C885-DE14-48D6-B22D-20199531059CQ30503501-D1800542-3D3E-4985-9ED8-AF02C95543E5Q30588359-0CDCE41E-E44F-4B9C-BA25-668554F79A3AQ30915666-6DD2142E-ECE8-4C82-9160-BF2A004F0CC3Q31037390-3399F43B-42E7-4279-82F6-DA3153304B1DQ31113513-E1FDA368-4E0A-4E33-93CE-1C466CBEB7D8Q33845595-88C9C509-1D82-4A1C-8BA7-6CFEA7653A22Q33953010-7814EF33-86A2-435F-8313-16400494B4A8Q34183835-70F17644-9E6D-4933-841C-21F5CE57646BQ34190144-645100AE-6D6B-47E2-A9EF-8805BA91B4C8Q34309528-57746951-1C35-4AB6-82A9-A1493C1ACD6CQ34480805-F8687354-32F7-4C45-97B4-AFEF0433E76AQ34649543-178B1A68-B32D-4D8A-B366-53DA2ADC788FQ34680443-746327F1-153E-44E3-9A6F-99190045D6E6Q35189727-26EB5B58-A14E-404A-9B53-0B82EB790355Q36024304-C838C676-E3C9-43E4-AA0B-6D27776B90FFQ36281250-1628A8E6-6196-4D03-9897-CEDEC29CD9E4Q36711952-4AB67C57-0405-4FC8-90E0-C37F8A76ECD5Q36741734-3F55EBB8-07B6-425F-98DF-5F4A7E7D197FQ36893547-1A8BA230-DBEE-4471-BF5A-F57AA3D84E59Q37260196-7B326DE8-CE05-4CD4-A5EF-A3DE71BF308AQ37323122-BA7EC332-AF31-42C1-A102-3215228FA3DFQ37350472-9B100CD9-4CDE-49EF-AFC3-8334EF48C09FQ37517203-3A2538AA-8932-4B39-876F-C003DB965B18Q40144576-3AB03188-80FA-46AF-9CF9-A3A2C6100A63Q40311373-AF8A2A64-67B0-412C-BE26-8513848FCC34Q41144268-E11500C7-3E05-415A-8520-A8BB77B34DFBQ41911618-7351D9AC-9470-4DE4-83E3-458F43EEC56AQ42037742-E0F5BD99-AD6E-4B13-BBA2-8DF20A635BBEQ42935641-25B9A5CC-A162-43AB-B2E4-AB1FBB5A296E
P2860
Solution conformations and thermodynamics of structured peptides: molecular dynamics simulation with an implicit solvation model.
description
1998 nî lūn-bûn
@nan
1998 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
1998 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
1998年の論文
@ja
1998年論文
@yue
1998年論文
@zh-hant
1998年論文
@zh-hk
1998年論文
@zh-mo
1998年論文
@zh-tw
1998年论文
@wuu
name
Solution conformations and the ...... h an implicit solvation model.
@ast
Solution conformations and the ...... h an implicit solvation model.
@en
Solution conformations and the ...... h an implicit solvation model.
@nl
type
label
Solution conformations and the ...... h an implicit solvation model.
@ast
Solution conformations and the ...... h an implicit solvation model.
@en
Solution conformations and the ...... h an implicit solvation model.
@nl
prefLabel
Solution conformations and the ...... h an implicit solvation model.
@ast
Solution conformations and the ...... h an implicit solvation model.
@en
Solution conformations and the ...... h an implicit solvation model.
@nl
P356
P1476
Solution conformations and the ...... th an implicit solvation model
@en
P2093
P304
P356
10.1006/JMBI.1998.2172
P407
P50
P577
1998-12-01T00:00:00Z