ALMOST: an all atom molecular simulation toolkit for protein structure determination. (Q30360709)

20 June 2017

ALMOST: an all atom molecular simulation toolkit for protein structure determination. (English)

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protein structure determination

20 June 2017

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author

Gian Gaetano Tartaglia

4

object named as

Gian Gaetano Tartaglia

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20 June 2017

5

Emanuele Paci

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20 June 2017

7

Michele Vendruscolo

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20 June 2017

Aleksandr B Sahakyan

2

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Carlo Camilloni

object named as

Carlo Camilloni

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author name string

Biao Fu

1

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PubMed ID

24676684

20 June 2017

Amedeo Caflisch

6

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PubMed ID

24676684

20 June 2017

Andrea Cavalli

8

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20 June 2017

27 March 2014

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Journal of Computational Chemistry

20 June 2017

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20 June 2017

35

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20 June 2017

14

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20 June 2017

1101-1105

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Blind testing of routine, fully automated determination of protein structures from NMR data

20 June 2017

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Crystallography & NMR System: A New Software Suite for Macromolecular Structure Determination

21 January 2018

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Comparative protein modelling by satisfaction of spatial restraints

21 January 2018

1 reference

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

21 January 2018

1 reference

The Amber biomolecular simulation programs

21 January 2018

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The Xplor-NIH NMR molecular structure determination package

21 January 2018

1 reference

ROSETTA3: an object-oriented software suite for the simulation and design of macromolecules

21 January 2018

1 reference

WHAT IF: a molecular modeling and drug design program

21 January 2018

1 reference

PROCHECK: a program to check the stereochemical quality of protein structures

21 January 2018

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Solvation energy in protein folding and binding

21 January 2018

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Use of dipolar 1H-15N and 1H-13C couplings in the structure determination of magnetically oriented macromolecules in solution

21 January 2018

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Effective energy function for proteins in solution

21 January 2018

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Generalized born models of macromolecular solvation effects

21 January 2018

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Fast and accurate predictions of protein NMR chemical shifts from interatomic distances.

21 January 2018

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Structure-based prediction of methyl chemical shifts in proteins

21 January 2018

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Using side-chain aromatic proton chemical shifts for a quantitative analysis of protein structures.

21 January 2018

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Integration of small-angle X-ray scattering data into structural modeling of proteins and their assemblies

21 January 2018

1 reference

Structure determination of protein-protein complexes using NMR chemical shifts: case of an endonuclease colicin-immunity protein complex

21 January 2018

1 reference

Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA

21 January 2018

1 reference

Using NMR chemical shifts as structural restraints in molecular dynamics simulations of proteins

21 January 2018

1 reference

Structure of an intermediate state in protein folding and aggregation

21 January 2018

1 reference

Characterization of the conformational equilibrium between the two major substates of RNase A using NMR chemical shifts

21 January 2018

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Assessment of the use of NMR chemical shifts as replica-averaged structural restraints in molecular dynamics simulations to characterize the dynamics of proteins

21 January 2018

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PLUMED: A portable plugin for free-energy calculations with molecular dynamics

21 January 2018

1 reference

New functionalities in the GROMOS biomolecular simulation software

21 January 2018

1 reference

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.23588

1 reference

20 June 2017

journals/jcc/FuSCTPCVC14

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

PubMed ID

24676684