Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and Dynamics
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An Acrobatic Substrate Metamorphosis Reveals a Requirement for Substrate Conformational Dynamics in Trypsin Proteolysis.Predicting Protein Dynamics and Allostery Using Multi-Protein Atomic Distance Constraints.DOCLASP - Docking ligands to target proteins using spatial and electrostatic congruence extracted from a known holoenzyme and applying simple geometrical transformations.Using the multi-objective optimization replica exchange Monte Carlo enhanced sampling method for protein-small molecule dockingEnhanced conformational sampling technique provides an energy landscape view of large-scale protein conformational transitions.Evaluation of Ochratoxin Recognition by Peptides Using Explicit Solvent Molecular DynamicsIn silico identification of rescue sites by double force scanning.Frustration-guided motion planning reveals conformational transitions in proteins.Molecular Modeling and Simulation Tools in the Development of Peptide-Based Biosensors for Mycotoxin Detection: Example of Ochratoxin.Focused conformational sampling in proteins.Finding the needle in the haystack: towards solving the protein-folding problem computationally.Assessing numerical methods for molecular and particle simulation.Maintaining and Enhancing Diversity of Sampled Protein Conformations in Robotics-Inspired Methods.In silico cancer research towards 3R.Modeling the effects of lattice defects on microtubule breaking and healing.Constructing Markov State Models to elucidate the functional conformational changes of complex biomoleculesIn Silico Studies of Small Molecule Interactions with Enzymes Reveal Aspects of Catalytic FunctionFrom mutations to mechanisms and dysfunction via computation and mining of protein energy landscapes
P2860
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P2860
Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and Dynamics
description
2016 nî lūn-bûn
@nan
2016 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2016 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
name
Principles and Overview of Sam ...... lecular Structure and Dynamics
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Principles and Overview of Sam ...... lecular Structure and Dynamics
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Principles and Overview of Sam ...... lecular Structure and Dynamics
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type
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Principles and Overview of Sam ...... lecular Structure and Dynamics
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Principles and Overview of Sam ...... lecular Structure and Dynamics
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Principles and Overview of Sam ...... lecular Structure and Dynamics
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Principles and Overview of Sam ...... lecular Structure and Dynamics
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Principles and Overview of Sam ...... lecular Structure and Dynamics
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Principles and Overview of Sam ...... lecular Structure and Dynamics
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P2860
P50
P921
P3181
P1476
Principles and Overview of Sam ...... lecular Structure and Dynamics
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P2093
Ryan Moffatt
P2860
P304
P3181
P356
10.1371/JOURNAL.PCBI.1004619
P407
P577
2016-04-01T00:00:00Z