Multicanonical molecular dynamics simulations of the N-terminal domain of protein L9
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journal
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February 2014 |
Secondary Structure Bias in Generalized Born Solvent Models: Comparison of Conformational Ensembles and Free Energy of Solvent Polarization from Explicit and Implicit Solvation
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journal
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February 2007 |
Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
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journal
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February 1977 |
Markov Model Theory
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book
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January 2014 |
An Overview and Practical Guide to Building Markov State Models
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book
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January 2014 |
Accelerating all-atom protein folding simulations through reduced dihedral barriers
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journal
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September 2005 |
Solution conformations and thermodynamics of structured peptides: molecular dynamics simulation with an implicit solvation model
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journal
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December 1998 |
Coarse-grained potential models for structural prediction of carbon dioxide (CO 2 ) in confined environments
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journal
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January 2012 |
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
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journal
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February 2008 |
Self-Assembly and Mineralization of Peptide-Amphiphile Nanofibers
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journal
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November 2001 |
Effects of Temperature Control Algorithms on Transport Properties and Kinetics in Molecular Dynamics Simulations
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journal
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June 2013 |
Aligned Macroscopic Domains of Optoelectronic Nanostructures Prepared via Shear-Flow Assembly of Peptide Hydrogels
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journal
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October 2011 |
Introduction and Overview of This Book
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book
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January 2014 |
Hydrogen bonding definitions and dynamics in liquid water
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journal
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May 2007 |
Arginine and Disordered Amyloid-β Peptide Structures: Molecular Level Insights into the Toxicity in Alzheimer’s Disease
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journal
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September 2013 |
One-Dimensional Optoelectronic Nanostructures Derived from the Aqueous Self-Assembly of π-Conjugated Oligopeptides
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journal
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October 2008 |
A Leap-frog Algorithm for Stochastic Dynamics
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journal
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March 1988 |
Peptide-Based Supramolecular Semiconductor Nanomaterials via Pd-Catalyzed Solid-Phase “Dimerizations”
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journal
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October 2012 |
Accurate Representation of B-DNA Double Helical Structure with Implicit Solvent and Counterions
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journal
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July 2002 |
Responsive gels formed by the spontaneous self-assembly of peptides into polymeric β-sheet tapes
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journal
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March 1997 |
Self-Assembled Proteins and Peptides for Regenerative Medicine
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journal
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March 2013 |
Hydrophobicity at Small and Large Length Scales
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journal
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June 1999 |
Effects of lengthscales and attractions on the collapse of hydrophobic polymers in water
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journal
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January 2007 |
Self consistent field theory of solvent effects representation by continuum models: Introduction of desolvation contribution
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journal
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January 1984 |
Efficient Algorithms for Langevin and DPD Dynamics
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journal
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March 2012 |
Sequence-dependent mechanical, photophysical and electrical properties of pi-conjugated peptide hydrogelators
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journal
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January 2015 |
Effect of Sequence and Stereochemistry Reversal on p53 Peptide Mimicry
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journal
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July 2013 |
What Drives Amyloid Molecules To Assemble into Oligomers and Fibrils?
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journal
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January 2011 |
PRODRG : a tool for high-throughput crystallography of protein–ligand complexes
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journal
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July 2004 |
Effect of surfactant SDS on DMSO transport across water/hexane interface by molecular dynamics simulation
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journal
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September 2015 |
Markov state models of biomolecular conformational dynamics
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journal
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April 2014 |
Modelling amyloid fibril formation kinetics: mechanisms of nucleation and growth
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journal
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August 2013 |
Markov Processes for Stochastic Modeling
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book
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January 1997 |
Coarse Master Equation from Bayesian Analysis of Replica Molecular Dynamics Simulations †
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journal
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April 2005 |
Computer simulation study of amyloid fibril formation by palindromic sequences in prion peptides
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journal
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May 2011 |
Coarse Grained Model for Semiquantitative Lipid Simulations
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journal
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January 2004 |
Interfaces and the driving force of hydrophobic assembly
|
journal
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September 2005 |
Light-emitting diodes based on conjugated polymers
|
journal
|
October 1990 |
Electrostatically-Directed Self-Assembly of Cylindrical Peptide Amphiphile Nanostructures
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journal
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July 2004 |
Local delivery of proteins and the use of self-assembling peptides
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journal
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July 2007 |
Designing π-conjugated polymers for organic electronics
|
journal
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December 2013 |
Perspective: Coarse-grained models for biomolecular systems
|
journal
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September 2013 |
Recent progress in the design of narrow bandgap conjugated polymers for high-efficiency organic solar cells
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journal
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September 2012 |
About Supramolecular Assemblies of π-Conjugated Systems
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journal
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April 2005 |
g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates
|
journal
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November 2010 |
Structure determination of micelle-like intermediates in amyloid -protein fibril assembly by using small angle neutron scattering
|
journal
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December 2001 |
A Lumry−Eyring Nucleated Polymerization Model of Protein Aggregation Kinetics: 1. Aggregation with Pre-Equilibrated Unfolding
|
journal
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July 2007 |
Magnesium Ion–Water Coordination and Exchange in Biomolecular Simulations
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journal
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March 2012 |
VMD: Visual molecular dynamics
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journal
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February 1996 |
Semianalytical treatment of solvation for molecular mechanics and dynamics
|
journal
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August 1990 |
Fluidic-Directed Assembly of Aligned Oligopeptides with π-Conjugated Cores
|
journal
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August 2013 |
Self-Assembly of β-Peptides: Insight from the Pair and Many-Body Free Energy of Association
|
journal
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July 2010 |
Describing Protein Folding Kinetics by Molecular Dynamics Simulations. 1. Theory †
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journal
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May 2004 |
Constrained Unfolding of a Helical Peptide: Implicit versus Explicit Solvents
|
journal
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May 2015 |
Describing Protein Folding Kinetics by Molecular Dynamics Simulations. 2. Example Applications to Alanine Dipeptide and a β-Hairpin Peptide †
|
journal
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May 2004 |
Variation of Formal Hydrogen-Bonding Networks within Electronically Delocalized π-Conjugated Oligopeptide Nanostructures
|
journal
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September 2014 |
A Coarse-Grained Model of Unstructured Single-Stranded DNA Derived from Atomistic Simulation and Single-Molecule Experiment
|
journal
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June 2014 |
Investigation of the Structure of Ethanol–Water Mixtures by Molecular Dynamics Simulation I: Analyses Concerning the Hydrogen-Bonded Pairs
|
journal
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January 2015 |
Mesoscopic Simulation of Cell Membrane Damage, Morphology Change and Rupture by Nonionic Surfactants
|
journal
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August 2001 |
A model for the controlled assembly of semiconductor peptides
|
journal
|
January 2012 |
Biomimetic Systems for Hydroxyapatite Mineralization Inspired By Bone and Enamel
|
journal
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November 2008 |
The Scaling and Squaring Method for the Matrix Exponential Revisited
|
journal
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January 2005 |
Interaction Models for Water in Relation to Protein Hydration
|
book
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January 1981 |
Exploring protein native states and large-scale conformational changes with a modified generalized born model
|
journal
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March 2004 |
Is Poisson-Boltzmann theory insufficient for protein folding simulations?
|
journal
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January 2006 |
Generalized Runge-Kutta Processes for Stable Systems with Large Lipschitz Constants
|
journal
|
September 1967 |
Self-assembling amphiphilic peptides: SELF-ASSEMBLING PEPTIDES
|
journal
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April 2014 |
A Test on Peptide Stability of AMBER Force Fields with Implicit Solvation
|
journal
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June 2008 |
Everything you wanted to know about Markov State Models but were afraid to ask
|
journal
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September 2010 |
Nature's Complex Copolymers: Engineering Design of Oligopeptide Materials
|
journal
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February 2002 |
Synthesis and characterization of π-conjugated peptide-based supramolecular materials
|
journal
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March 2012 |
Lumry−Eyring Nucleated-Polymerization Model of Protein Aggregation Kinetics. 2. Competing Growth via Condensation and Chain Polymerization
|
journal
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May 2009 |
Electrostatic interactions in dissipative particle dynamics—simulation of polyelectrolytes and anionic surfactants
|
journal
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June 2003 |
Conformational Response to Ligand Binding in Phosphomannomutase2: INSIGHTS INTO INBORN GLYCOSYLATION DISORDER
|
journal
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October 2014 |
Supramolecular Polymorphism: Tunable Electronic Interactions within π-Conjugated Peptide Nanostructures Dictated by Primary Amino Acid Sequence
|
journal
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May 2014 |
A New Scaling and Squaring Algorithm for the Matrix Exponential
|
journal
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January 2010 |
Solvent models for protein-ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulations
|
journal
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January 2001 |
A Database for the Static Dielectric Constant of Water and Steam
|
journal
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January 1995 |
Examining Electrostatic Influences on Base-Flipping: A Comparison of TIP3P and GB Solvent Models
|
journal
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January 2013 |
Peptide π-Electron Conjugates: Organic Electronics for Biology?
|
journal
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October 2015 |
A smooth particle mesh Ewald method
|
journal
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November 1995 |
Constant pH Replica Exchange Molecular Dynamics in Explicit Solvent Using Discrete Protonation States: Implementation, Testing, and Validation
|
journal
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February 2014 |
Long‐Time Protein Folding Dynamics from Short‐Time Molecular Dynamics Simulations
|
journal
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January 2006 |
A comparison of implicit- and explicit-solvent simulations of self-assembly in block copolymer and solute systems
|
journal
|
April 2011 |
Computer Simulation of Liquids
|
journal
|
March 1989 |
About Supramolecular Assemblies of π-Conjugated Systems
|
journal
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August 2005 |
Structure of Erm-modified 70S ribosome reveals the mechanism of macrolide resistance
|
journal
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January 2021 |
Markov Processes for Stochastic Modeling
|
journal
|
June 1998 |
The Scaling and Squaring Method for the Matrix Exponential Revisited
|
journal
|
November 2009 |
Computer Simulation Using Particles
|
book
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January 1988 |
Computer Simulation Using Particles
|
book
|
January 1988 |