| scholarly article | Q13442814 |
| review article | Q7318358 |
| P356 | DOI | 10.1016/S0959-440X(99)80025-6 |
| P698 | PubMed publication ID | 10322208 |
| P50 | author | Ulrich H.E. Hansmann | Q73085129 |
| Yuko Okamoto | Q51921025 | ||
| P2860 | cites work | Protein folding kinetics: timescales, pathways and energy landscapes in terms of sequence-dependent properties | Q73175501 |
| Molecular mechanisms for cooperative folding of proteins | Q74450596 | ||
| Monte Carlo simulation and global optimization without parameters | Q74555822 | ||
| Scaling behavior of stochastic minimization algorithms in a perfect funnel landscape | Q21686231 | ||
| Optimization by Simulated Annealing | Q25939004 | ||
| Pathways to a protein folding intermediate observed in a 1-microsecond simulation in aqueous solution | Q28286232 | ||
| From Levinthal to pathways to funnels | Q28300934 | ||
| Possible generalization of Boltzmann-Gibbs statistics | Q29011721 | ||
| Simulation methods for protein structure fluctuations | Q30416261 | ||
| Genetic algorithms for protein structure prediction | Q30424580 | ||
| Theory of protein folding: the energy landscape perspective | Q30428743 | ||
| A graph-theoretic algorithm for comparative modeling of protein structure | Q30430781 | ||
| Efficient dynamics in the space of contact maps | Q30431913 | ||
| A prediction of tertiary structures of peptide by the Monte Carlo simulated annealing method. | Q41943789 | ||
| Simulations of protein folding and unfolding | Q44760159 | ||
| Conformational analysis of [Met5]-enkephalin: solvation and ionization considerations | Q47742296 | ||
| The folding funnel landscape for the peptide Met-enkephalin. | Q48629238 | ||
| A comparison of heuristic search algorithms for molecular docking. | Q52265017 | ||
| Generalized simulated annealing algorithms using Tsallis statistics: Application to conformational optimization of a tetrapeptide. | Q52306978 | ||
| Identifying the tertiary fold of small proteins with different topologies from sequence and secondary structure using the genetic algorithm and extended criteria specific for strand regions. | Q52310158 | ||
| Local moves: an efficient algorithm for simulation of protein folding. | Q52330897 | ||
| Taboo search: an approach to the multiple minima problem. | Q52350711 | ||
| New Monte Carlo algorithm: Entropic sampling. | Q52393347 | ||
| Efficient Monte Carlo method for simulation of fluctuating conformations of native proteins. | Q52674775 | ||
| Stochastic Relaxation, Gibbs Distributions, and the Bayesian Restoration of Images | Q52693001 | ||
| Probability Distributions for Complex Systems: Adaptive Umbrella Sampling of the Potential Energy | Q56093107 | ||
| Finite-size scaling of helix–coil transitions in poly-alanine studied by multicanonical simulations | Q57906260 | ||
| β-sheet formation in BPTI(16–36) by Monte Carlo simulated annealing | Q57906277 | ||
| First-Principle Determination of Peptide Conformations in Solvents: Combination of Monte Carlo Simulated Annealing and RISM Theory | Q57906284 | ||
| Tertiary Structure Prediction of C-Peptide of Ribonuclease A by Multicanonical Algorithm | Q57906295 | ||
| Generalized-ensemble Monte Carlo method for systems with rough energy landscape | Q57906304 | ||
| Numerical comparisons of three recently proposed algorithms in the protein folding problem | Q57906307 | ||
| Molecular dynamics, Langevin and hydrid Monte Carlo simulations in a multicanonical ensemble | Q57906319 | ||
| Comment on "Monte Carlo Simulation of a First-Order Transition for Protein Folding" | Q57906326 | ||
| Prediction of peptide conformation by multicanonical algorithm: New approach to the multiple-minima problem | Q57906365 | ||
| Testing a new Monte Carlo algorithm for protein folding | Q58042939 | ||
| Efficient Monte Carlo methods for the computer simulation of biological molecules | Q59732750 | ||
| New Monte Carlo technique for studying phase transitions | Q59732852 | ||
| Simulations of the thermodynamic properties of a short polyalanine peptide using potentials of mean force | Q62733691 | ||
| Simulated Tempering: A New Monte Carlo Scheme | Q64357627 | ||
| Theoretical studies of protein-folding thermodynamics and kinetics | Q73070810 | ||
| P433 | issue | 2 | |
| P921 | main subject | algorithm | Q8366 |
| Monte Carlo method | Q232207 | ||
| protein folding | Q847556 | ||
| P304 | page(s) | 177-183 | |
| P577 | publication date | 1999-04-01 | |
| P1433 | published in | Current Opinion in Structural Biology | Q15758416 |
| P1476 | title | New Monte Carlo algorithms for protein folding | |
| P478 | volume | 9 |
| Q35656687 | 3dRNAscore: a distance and torsion angle dependent evaluation function of 3D RNA structures |
| Q30164862 | A minimal physically realistic protein-like lattice model: designing an energy landscape that ensures all-or-none folding to a unique native state |
| Q51970780 | A minimal proteinlike lattice model: an alpha-helix motif. |
| Q51938375 | A study of density of states and ground states in hydrophobic-hydrophilic protein folding models by equi-energy sampling. |
| Q39214506 | Ab initio computational modeling of long loops in G-protein coupled receptors |
| Q28139024 | Ab initio construction of protein tertiary structures using a hierarchical approach |
| Q57906188 | Ab initio replica-exchange Monte Carlo method for cluster studies |
| Q47667810 | Accelerating physical simulations of proteins by leveraging external knowledge. |
| Q31066991 | Accurate estimation of the density of states from Monte Carlo transition probability data |
| Q57905820 | Amino-acid-dependent main-chain torsion-energy terms for protein systems |
| Q33903982 | Application of evolutionary algorithm methods to polypeptide folding: comparison with experimental results for unsolvated Ac-(Ala-Gly-Gly)5-LysH+ |
| Q28834607 | Asynchronous Replica Exchange Software for Grid and Heterogeneous Computing |
| Q24649591 | Balancing solvation and intramolecular interactions: toward a consistent generalized Born force field |
| Q26749123 | Coarse-grained modeling of RNA 3D structure |
| Q44858542 | Communication: Multiple atomistic force fields in a single enhanced sampling simulation |
| Q51615021 | Comparing parallel- and simulated-tempering-enhanced sampling algorithms at phase-transition regimes. |
| Q36900683 | Computational models of protein kinematics and dynamics: beyond simulation |
| Q36972033 | Computing the stability diagram of the Trp-cage miniprotein |
| Q33470358 | Conformational changes of ubiquitin under high pressure conditions: A pressure simulated tempering molecular dynamics study |
| Q36344939 | Conformational sampling of peptides in cellular environments |
| Q33603629 | Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environment |
| Q51961150 | Convergence of replica exchange molecular dynamics. |
| Q30342170 | Database-derived potentials dependent on protein size for in silico folding and design. |
| Q30403052 | De novo protein structure prediction by dynamic fragment assembly and conformational space annealing |
| Q50985152 | Designing the Sniper: Improving Targeted Human Cytolytic Fusion Proteins for Anti-Cancer Therapy via Molecular Simulation. |
| Q50847579 | Distance-dependent hydrophobic-hydrophobic contacts in protein folding simulations. |
| Q41005043 | Distributions of experimental protein structures on coarse-grained free energy landscapes. |
| Q36157560 | Effect of Glycosylation on an Immunodominant Region in the V1V2 Variable Domain of the HIV-1 Envelope gp120 Protein |
| Q40336901 | Effect of flanking residues on the conformational sampling of the internal fusion peptide from Ebola virus |
| Q40242173 | Engineering teams up with computer-simulation and visualization tools to probe biomolecular mechanisms |
| Q94481764 | Enhancing fragment-based protein structure prediction by customising fragment cardinality according to local secondary structure |
| Q30329266 | Exploratory studies of ab initio protein structure prediction: multiple copy simulated annealing, AMBER energy functions, and a generalized born/solvent accessibility solvation model. |
| Q35121299 | Folding of proteins with diverse folds |
| Q40319333 | Folding thermodynamics of peptides |
| Q30402159 | Fully differentiable coarse-grained and all-atom knowledge-based potentials for RNA structure evaluation |
| Q34309528 | Generalized-ensemble algorithms for molecular simulations of biopolymers |
| Q57906183 | Generalized-ensemble simulations of spin systems and protein systems |
| Q80367216 | Generalized-ensemble simulations of the human parathyroid hormone fragment PTH(1-34) |
| Q30982097 | Generation of native-like protein structures from limited NMR data, modern force fields and advanced conformational sampling |
| Q44082629 | Glass transition in an off-lattice protein model studied by molecular dynamics simulations |
| Q41015632 | Identification of small-molecule binding pockets in the soluble monomeric form of the Aβ42 peptide |
| Q57275003 | Interplay of secondary structures and side-chain contacts in the denatured state of BBA1 |
| Q46257808 | Kinetics of the coil-to-helix transition on a rough energy landscape. |
| Q27334394 | Large-scale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysis |
| Q30328050 | Lattice protein folding with two and four-body statistical potentials. |
| Q34180313 | MC-PHS: a Monte Carlo implementation of the primary hydration shell for protein folding and design. |
| Q38715169 | Modeling and simulation of protein-surface interactions: achievements and challenges |
| Q40307349 | Oligomerization of amyloid Abeta16-22 peptides using hydrogen bonds and hydrophobicity forces |
| Q30386400 | On potential energy models for EA-based ab initio protein structure prediction. |
| Q51246508 | On the use of transition matrix methods with extended ensembles. |
| Q51941908 | Optimized parallel tempering simulations of proteins. |
| Q46875182 | Overcoming entropic barrier with coupled sampling at dual resolutions |
| Q57271320 | Parallel simulated tempering dynamics of ligand–protein binding with ensembles of protein conformations |
| Q51082531 | Precursory signatures of protein folding/unfolding: from time series correlation analysis to atomistic mechanisms. |
| Q52779362 | Probing helical transitions in a DNA duplex. |
| Q57906198 | Protein folding simulations and structure predictions |
| Q40518742 | Protein fragment reconstruction using various modeling techniques |
| Q35165260 | Protein informatics towards function identification |
| Q92254314 | Protein structure prediction |
| Q92955168 | Protein structure predictions by enhanced conformational sampling methods |
| Q33966053 | Protonation/deprotonation effects on the stability of the Trp-cage miniprotein |
| Q33508733 | Rapid equilibrium sampling initiated from nonequilibrium data |
| Q44907103 | Relaxation to native conformation of a bond-fluctuating protein chain with hydrophobic and polar nodes |
| Q57835102 | Replica-Exchange Monte Carlo Scheme for Bayesian Data Analysis |
| Q55879366 | Replica-exchange molecular dynamics method for protein folding |
| Q34130185 | Residual structures, conformational fluctuations, and electrostatic interactions in the synergistic folding of two intrinsically disordered proteins |
| Q34186646 | Self-assembly of the ionic peptide EAK16: the effect of charge distributions on self-assembly |
| Q41865363 | Structural insight into RNA hairpin folding intermediates |
| Q57906269 | TACKLING THE MULTIPLE-MINIMA PROBLEM IN PROTEIN FOLDING BY MONTE CARLO SIMULATED ANNEALING AND GENERALIZED-ENSEMBLE ALGORITHMS |
| Q34991330 | The intrinsic helical propensities of the helical fragments in prion protein under neutral and low pH conditions: a replica exchange molecular dynamics study |
| Q24650711 | The predicted structure of the headpiece of the Huntingtin protein and its implications on Huntingtin aggregation |
| Q82734854 | Thermodynamic and structural characterization of the transformation from a metastable low-density to a very high-density form of supercooled TIP4P-Ew model water |
| Q35102121 | Unbiased, scalable sampling of protein loop conformations from probabilistic priors |
| Q37366740 | Using generalized ensemble simulations and Markov state models to identify conformational states |
| Q29619405 | X-ray solution scattering (SAXS) combined with crystallography and computation: defining accurate macromolecular structures, conformations and assemblies in solution |
Search more.