Multicanonical ensemble: A new approach to simulate first-order phase transitions
about
sameAs
Energy landscape of a peptide consisting of alpha-helix, 3(10)-helix, beta-turn, beta-hairpin, and other disordered conformationsCHARMM: the biomolecular simulation programAn ant colony optimisation algorithm for the 2D and 3D hydrophobic polar protein folding problemEnhanced conformational sampling to visualize a free-energy landscape of protein complex formationMolecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithmsOptimization by multicanonical annealing and the traveling salesman problemSampling rare events: Statistics of local sequence alignmentsPerformance Limitations of Flat-Histogram MethodsExtending fragment-based free energy calculations with library Monte Carlo simulation: annealing in interaction spaceThermodynamic features characterizing good and bad folding sequences obtained using a simplified off-lattice protein model.Protein folding mediated by solvation: water expulsion and formation of the hydrophobic core occur after the structural collapseOn the polymer physics origins of protein folding thermodynamics.Multidimensional stochastic approximation Monte Carlo.Investigation of protein folding by coarse-grained molecular dynamics with the UNRES force fieldPHAISTOS: a framework for Markov chain Monte Carlo simulation and inference of protein structure.Accurate first-order transition points from finite-size data without power-law corrections.Accurate estimation of the density of states from Monte Carlo transition probability data.Molecular dynamics of the structural changes of helical peptides induced by pressure.Conformational changes of ubiquitin under high pressure conditions: A pressure simulated tempering molecular dynamics study.VARICELLA: a variable-cell direct space method for structure determination from powder diffraction data.Efficient equilibrium sampling of all-atom peptides using library-based Monte Carlo.Conformational populations of ligand-sized molecules by replica exchange molecular dynamics and temperature reweighting.Accurate statistics for local sequence alignment with position-dependent scoring by rare-event sampling.Constant pH replica exchange molecular dynamics in biomolecules using a discrete protonation modelSampling rare events in nonequilibrium and nonstationary systems.De novo simulations of the folding thermodynamics of the GCN4 leucine zipper.Multiplexed-replica exchange molecular dynamics method for protein folding simulation.Molecular mechanism for stabilizing a short helical peptide studied by generalized-ensemble simulations with explicit solvent.Temperature and pressure denaturation of chignolin: folding and unfolding simulation by multibaric-multithermal molecular dynamics method.Generalized-ensemble algorithms for molecular simulations of biopolymers.Coarse-grained strategy for modeling protein stability in concentrated solutions. II: phase behavior.The search for the hydrophobic force law.A lattice model for influenza spreadingConformational study of Met-enkephalin based on the ECEPP force fieldsUnderstanding beta-hairpin formation.Further optimization of a hybrid united-atom and coarse-grained force field for folding simulations: Improved backbone hydration and interactions between charged side chains.Multiscale methods for computational RNA enzymology.Free-energy landscape of a chameleon sequence in explicit water and its inherent alpha/beta bifacial propertyA New Maximum Likelihood Approach for Free Energy Profile Construction from Molecular Simulations.Computational techniques for efficient conformational sampling of proteins
P2860
Q22061727-9B0BDCC7-4455-4D70-8E53-2D23187D79D1Q24658108-7AE705BB-F1D3-4284-9C53-0BAEF8EBBAC4Q24803125-025ACA90-ACB9-4400-8C28-1A7197FD17EEQ26747086-C97950BD-40C9-4957-832F-62465DA0CD0CQ26772040-8C19F167-061F-4CAA-8A49-DC5AD7C8D258Q27339667-B458E728-6DDA-4F57-B23B-7BD5681F5F39Q27346799-B14B462A-0B30-4404-846E-2F2A3B5E2CDEQ27451323-F3120D6F-6AED-4848-B405-A79C2DC76527Q28386158-679C688C-AC47-4B16-8C32-D13E83884C45Q30159682-0B9A7A31-E2DC-41B0-8316-60833EF85A32Q30167659-6422A493-63F6-444A-977F-102D070C0396Q30313760-B79F6D6B-3E3C-4EB5-B82A-E9EA5BAF3A7DQ30314061-ECF6D0FC-0566-46D8-AE9C-D584DD9C8016Q30385785-76C2CB93-8D28-4170-B3D6-1BB5D6517490Q30429807-87114D06-B1E8-4BD6-B857-0279152F5FA8Q30557906-60CF0BA1-96DC-4BE3-8AFD-EA0F3809F841Q31066991-8FDCE721-D351-4377-B00A-CA0956376728Q33462407-8A46FB1A-46B2-4F13-BE19-463E2A32DD47Q33470358-C8F7CF45-BF4A-4235-8B44-14EBE8925B30Q33490706-8B6598A0-E69B-4FD4-8418-B4B128108B83Q33551309-ADD6D7A5-2F5D-49B4-AC74-A314353F8EDFQ33764509-D52AE474-E154-44D8-82E6-49C05CCBAFE6Q33811380-E214408D-3DA4-489F-99A0-EEFC5AAD0D48Q33880577-73C45E48-0234-4966-BFAB-19D318FFF5C3Q34157179-4279DEB1-1B74-4210-A2C4-1CD1BD57641AQ34170772-D86C08FF-4FC4-454A-8669-3B2FBD9A29EAQ34180295-F17ADBF4-9E76-4360-95FD-1EAF9FB7676EQ34190144-35A507A8-2C00-4736-817C-D3D8652E327CQ34284914-837CC0A7-EECA-4264-AFAE-E5A67F0F126BQ34309528-4F422512-B7BF-4FFB-838F-3B948EF3AA51Q34418777-A0CAA3BF-AC8D-46A7-910A-E167DBA6F9B4Q34683864-821E1CAF-882E-4C13-AFA2-BA73832CCB0FQ34744892-E023B883-4F05-4AE6-92DE-B1AC273B591FQ35021398-4216EDAE-C812-4282-B35C-C580E7F72446Q35594815-1581FFE5-967E-4A89-A8FF-8B9FB3334DDCQ36426407-F58B2E29-C023-44E2-A588-0E85945072F4Q36540017-4DE127C9-63D5-47CA-83ED-ED975E54AAEBQ36631439-B31F272A-CA84-465F-AB3B-499D0A6049C8Q36634357-77151C34-0D77-4E95-B3BE-C1E439A37662Q36769352-2BBF49AE-B384-4953-9EFD-DE7A9CFDFABE
P2860
Multicanonical ensemble: A new approach to simulate first-order phase transitions
description
1992 nî lūn-bûn
@nan
1992 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
1992 թվականի հունվարին հրատարակված գիտական հոդված
@hy
1992年の論文
@ja
1992年論文
@yue
1992年論文
@zh-hant
1992年論文
@zh-hk
1992年論文
@zh-mo
1992年論文
@zh-tw
1992年论文
@wuu
name
Multicanonical ensemble: A new approach to simulate first-order phase transitions
@ast
Multicanonical ensemble: A new approach to simulate first-order phase transitions
@en
Multicanonical ensemble: A new approach to simulate first-order phase transitions
@en-gb
Multicanonical ensemble: A new approach to simulate first-order phase transitions
@nl
type
label
Multicanonical ensemble: A new approach to simulate first-order phase transitions
@ast
Multicanonical ensemble: A new approach to simulate first-order phase transitions
@en
Multicanonical ensemble: A new approach to simulate first-order phase transitions
@en-gb
Multicanonical ensemble: A new approach to simulate first-order phase transitions
@nl
prefLabel
Multicanonical ensemble: A new approach to simulate first-order phase transitions
@ast
Multicanonical ensemble: A new approach to simulate first-order phase transitions
@en
Multicanonical ensemble: A new approach to simulate first-order phase transitions
@en-gb
Multicanonical ensemble: A new approach to simulate first-order phase transitions
@nl
P3181
P356
P1476
Multicanonical ensemble: A new approach to simulate first-order phase transitions
@en
P2093
Bernd A. Berg
Thomas Neuhaus
P3181
P356
10.1103/PHYSREVLETT.68.9
P407
P577
1992-01-01T00:00:00Z
1992-01-06T00:00:00Z
P698
P818
hep-lat/9202004