The adaptive biasing force method: everything you always wanted to know but were afraid to ask
about
Computational Calorimetry: High-Precision Calculation of Host-Guest Binding ThermodynamicsSubdiffusion in Membrane Permeation of Small Molecules.Smoothed Biasing Forces Yield Unbiased Free Energies with the Extended-System Adaptive Biasing Force Method.Convergence and Sampling in Determining Free Energy Landscapes for Membrane Protein Association.Understanding ligand-receptor non-covalent binding kinetics using molecular modeling.Methodology for the Simulation of Molecular Motors at Different Scales.Revealing the Mechanisms of Protein Disorder and N-Glycosylation in CD44-Hyaluronan Binding Using Molecular SimulationComputational Studies of Glutamate TransportersSingle-molecule FRET unveils induced-fit mechanism for substrate selectivity in flap endonuclease 1.Attach-Pull-Release Calculations of Ligand Binding and Conformational Changes on the First BRD4 Bromodomain.Binding Kinetics in Drug Discovery.Toward the identification of molecular cogs.Rigidity and flexibility in the tetrasaccharide linker of proteoglycans from atomic-resolution molecular simulation.Structural basis for substrate selection by the translocation and assembly module of the β-barrel assembly machinery.Modern drug design: the implication of using artificial neuronal networks and multiple molecular dynamic simulations.Efficiently sampling conformations and pathways using the concurrent adaptive sampling (CAS) algorithm.Iodide Binding in Sodium-Coupled Cotransporters.Adaptive enhanced sampling with a path-variable for the simulation of protein folding and aggregation.Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics-Monte Carlo propagator.An adaptive bias - hybrid MD/kMC algorithm for protein folding and aggregation.Understanding Noncovalent Interactions of Small Molecules with Carbon Nanotubes.Membrane-embedded substrate recognition by cytochrome P450 3A4.Adaptive free energy sampling in multidimensional collective variable space using boxed molecular dynamics.C-terminal tail insertion of Bcl-xL in membrane occurs via partial unfolding and refolding cycle associating microsolvation.Assessment of a Single Decoupling Alchemical Approach for the Calculation of the Absolute Binding Free Energies of Protein-Peptide Complexes.Estimating thermodynamic expectations and free energies in expanded ensemble simulations: Systematic variance reduction through conditioning.Accessing the free energy profile of a ring closure in a proline-catalyzed reaction using a reactive force fieldMolecular-scale shear response of the organic semiconductor β -DBDCS (100) surface
P2860
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P2860
The adaptive biasing force method: everything you always wanted to know but were afraid to ask
description
2014 nî lūn-bûn
@nan
2014 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2014 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2014年の論文
@ja
2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
name
The adaptive biasing force met ...... to know but were afraid to ask
@ast
The adaptive biasing force met ...... to know but were afraid to ask
@en
type
label
The adaptive biasing force met ...... to know but were afraid to ask
@ast
The adaptive biasing force met ...... to know but were afraid to ask
@en
prefLabel
The adaptive biasing force met ...... to know but were afraid to ask
@ast
The adaptive biasing force met ...... to know but were afraid to ask
@en
P2093
P2860
P356
P1476
The adaptive biasing force met ...... to know but were afraid to ask
@en
P2093
Andrew Pohorille
Christophe Chipot
James C Gumbart
Jeffrey Comer
P2860
P304
P356
10.1021/JP506633N
P407
P577
2014-10-07T00:00:00Z