An Introduction to X-ray Crystallography, 1997. ,
NMR studies of protein structure and dynamics, Journal of Magnetic Resonance, vol.173, issue.2, pp.193-207, 2005. ,
DOI : 10.1016/j.jmr.2004.11.021
Recognition Dynamics Up to Microseconds Revealed from an RDC-Derived Ubiquitin Ensemble in Solution, Science, vol.117, issue.7147, pp.1471-1475, 2008. ,
DOI : 10.1038/nature05858
Integrated description of protein dynamics from room-temperature X-ray crystallography and NMR, Proc. Natl. Acad. Sci. USA 2014, pp.445-454 ,
DOI : 10.1063/1.448692
Molecular Modelling: Principles and Applications, 2001. ,
Understanding Molecular Simulation, Computers in Physics, vol.11, issue.4, 2002. ,
DOI : 10.1063/1.4822570
Energy Landscapes: Applications to Clusters, Biomolecules and Glasses, 2003. ,
Algorithms in Structural Molecular Biology, 2011. ,
Motion planning algorithms for molecular simulations: A survey, Computer Science Review, vol.6, issue.4, pp.125-143 ,
DOI : 10.1016/j.cosrev.2012.07.002
Computational Models of Protein Kinematics and Dynamics: Beyond Simulation, Annual Review of Analytical Chemistry, vol.5, issue.1, pp.273-291, 2012. ,
DOI : 10.1146/annurev-anchem-062011-143024
A Survey of Computational Treatments of Biomolecules by Robotics-Inspired Methods Modeling Equilibrium Structure and Dynamic, J. Artif. Intell. Res, vol.57, pp.509-572, 2016. ,
A Robotics Approach to Enhance Conformational Sampling of Proteins, Volume 4: 36th Mechanisms and Robotics Conference, Parts A and B, pp.12-15, 2012. ,
DOI : 10.1115/DETC2012-70105
Geometric Problems in Molecular Biology and Robotics, Proc. Int. Conf. Intell. Syst. Mol. Biol, vol.2, pp.322-330, 1994. ,
Equation of State Calculations by Fast Computing Machines, The Journal of Chemical Physics, vol.21, issue.6, pp.1087-1092, 1953. ,
DOI : 10.1063/1.1700747
Ring Closure and Local Conformational Deformations of Chain Molecules, Macromolecules, vol.3, pp.178-187, 1970. ,
A concerted rotation algorithm for atomistic Monte Carlo simulation of polymer melts and glasses, Molecular Physics, vol.28, issue.4, pp.961-996, 1993. ,
DOI : 10.1021/ma00191a079
A critical evaluation of novel algorithms for the off-lattice Monte Carlo simulation of condensed polymer phases, Adv. Polym. Sci, vol.116, pp.283-318, 1994. ,
DOI : 10.1007/BFb0080202
Efficient Monte Carlo methods for cyclic peptides, Molecular Physics, vol.98, issue.4, pp.559-580, 1999. ,
DOI : 10.1007/BF00576711
Efficient Monte Carlo trial moves for polypeptide simulations, The Journal of Chemical Physics, vol.123, issue.17, p.174905, 2005. ,
DOI : 10.1073/pnas.96.20.11311
The Backrub Motion: How Protein Backbone Shrugs When a Sidechain Dances, Structure, vol.14, issue.2, pp.265-274, 2006. ,
DOI : 10.1016/j.str.2005.10.007
Subtle Monte Carlo Updates in Dense Molecular Systems, Journal of Chemical Theory and Computation, vol.8, issue.2, pp.695-702, 2012. ,
DOI : 10.1021/ct200641m
Chapter 3 Methods for Monte Carlo Simulations of Biomacromolecules, Annu. Rep. Comput. Chem, vol.5, pp.49-76, 2009. ,
DOI : 10.1016/S1574-1400(09)00503-9
The development/application of a ???minimalist??? organic/biochemical molecular mechanic force field using a combination of ab initio calculations and experimental data, In Computer Simulation of Biomolecular Systems, vol.3, pp.83-96, 1997. ,
DOI : 10.1007/978-94-017-1120-3_2
van der Waals Volumes and Radii, The Journal of Physical Chemistry, vol.68, issue.3, pp.441-451, 1964. ,
DOI : 10.1021/j100785a001
SH3 domains: modules of protein???protein interactions, Biophysical Reviews, vol.22, issue.1, pp.29-39, 2013. ,
DOI : 10.1091/mbc.E10-12-0969
Order propensity of an intrinsically disordered protein, the cyclin-dependent-kinase inhibitor Sic1, Proteins: Structure, Function, and Bioinformatics, vol.1, issue.3, pp.731-746, 2009. ,
DOI : 10.1016/j.bbapap.2005.12.016
A structural model for unfolded proteins from residual dipolar couplings and small-angle x-ray scattering, Proc. Natl. Acad. Sci. USA 2005, pp.17002-17005 ,
DOI : 10.1073/pnas.0506078102
Improved prediction of protein side-chain conformations with SCWRL4, Proteins: Structure, Function, and Bioinformatics, vol.3, issue.Pt 1, pp.778-795, 2009. ,
DOI : 10.1007/978-1-4899-3324-9
Monte Carlo backbone sampling for polypeptides with variable bond angles and dihedral angles using concerted rotations and a Gaussian bias, The Journal of Chemical Physics, vol.42, issue.9, pp.4261-4271, 2003. ,
DOI : 10.1021/jp961992r
Ubiquitin: structures, functions, mechanisms, Biochimica et Biophysica Acta (BBA) - Molecular Cell Research, vol.1695, issue.1-3, pp.1695-55, 2004. ,
DOI : 10.1016/j.bbamcr.2004.09.019
URL : https://doi.org/10.1016/j.bbamcr.2004.09.019
Conformational Analysis of Macromolecules. II. The Rotational Isomeric States of the Normal Hydrocarbons, The Journal of Chemical Physics, vol.2, issue.8, pp.3054-3069, 1966. ,
DOI : 10.1063/1.1776947
Polypeptide Folding Using Monte Carlo Sampling, Concerted Rotation, and Continuum Solvation, Journal of the American Chemical Society, vol.126, issue.6, pp.1849-1857, 2004. ,
DOI : 10.1021/ja0378862
Introduction to Robotics, 1989. ,
Assessing Protein Loop Flexibility by Hierarchical Monte Carlo Sampling, Journal of Chemical Theory and Computation, vol.7, issue.5, pp.1564-1574, 2011. ,
DOI : 10.1021/ct1006696
URL : https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3129859/pdf
Multiscale Monte Carlo Sampling of Protein Sidechains: Application to Binding Pocket Flexibility, Journal of Chemical Theory and Computation, vol.4, issue.5, pp.835-846, 2008. ,
DOI : 10.1021/ct700334a
Monte Carlo Sampling with Hierarchical Move Sets: POSH Monte Carlo, Journal of Chemical Theory and Computation, vol.5, issue.8, pp.1968-1984, 2009. ,
DOI : 10.1021/ct8005166
isomerization in proline-containing, cyclic peptides, The Journal of Chemical Physics, vol.11, issue.14, pp.6625-6632, 1999. ,
DOI : 10.1115/1.2919218
Cyclic coordinate descent: A robotics algorithm for protein loop closure, Protein Science, vol.14, issue.5, pp.963-972, 2003. ,
DOI : 10.1002/jcc.540140508
A simplified inverse kinematic model calculation method for all 6R type manipulators In Current Advances in Mechanical Design and Production VII, pp.57-66, 2000. ,
Calcul des Modèles Géométriques Inverses des Robots Manipulateurs 6R; Rapport LAAS 06332, 2006. ,
A new vector theory for the analysis of spatial mechanisms, Mechanism and Machine Theory, vol.23, issue.3, pp.209-217, 1988. ,
DOI : 10.1016/0094-114X(88)90106-1
Displacement analysis of the general spatial 7-link 7R mechanism, Mechanism and Machine Theory, vol.23, issue.3, pp.219-226, 1988. ,
DOI : 10.1016/0094-114X(88)90107-3
Efficient inverse kinematics for general 6R manipulators, IEEE Transactions on Robotics and Automation, vol.10, issue.5, pp.648-657, 1994. ,
DOI : 10.1109/70.326569
URL : http://www.csd.uch.gr/~emiris/algebraic99/mopapers/manocha/ieeetra.ps.Z
Geometric algorithms for the conformational analysis of long protein loops, Journal of Computational Chemistry, vol.9, issue.Suppl, pp.956-967, 2004. ,
DOI : 10.1089/10665270252935395
Relaxation of amorphous multichain polymer systems using inverse kinematics, Polymer, vol.51, issue.17, pp.4008-4014, 2010. ,
DOI : 10.1016/j.polymer.2010.06.019
Local deformations of polymers with nonplanar rigid main-chain internal coordinates, Journal of Computational Chemistry, vol.75, issue.13, pp.1132-1144, 2000. ,
DOI : 10.1080/00268979200100061
A kinematic view of loop closure, Journal of Computational Chemistry, vol.35, issue.4, pp.510-528, 2004. ,
DOI : 10.1007/978-0-8176-4771-1
Efficient Monte Carlo sampling for long molecular chains using local moves, tested on a solvated lipid bilayer, The Journal of Chemical Physics, vol.118, issue.8, pp.3874-3879, 2003. ,
DOI : 10.1080/00268978700101321
Generalized-ensemble algorithms: enhanced sampling techniques for Monte Carlo and molecular dynamics simulations, Journal of Molecular Graphics and Modelling, vol.22, issue.5, pp.425-439, 2004. ,
DOI : 10.1016/j.jmgm.2003.12.009
Global optimization and folding pathways of selected alpha-helical proteins, J. Chem. Phys, 2005. ,
Simulating ligand-induced conformational changes in proteins using a mechanical disassembly method, Physical Chemistry Chemical Physics, vol.16, issue.7, pp.8268-8276, 2010. ,
DOI : 10.1039/c002811h
Backbone flexibility in computational protein design, Current Opinion in Biotechnology, vol.20, issue.4, pp.420-428, 2009. ,
DOI : 10.1016/j.copbio.2009.07.006