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The Journal of Chemical Physics, ISSN 0021-9606, 05/2017, Volume 146, Issue 19, pp. 194101 - 194101
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 2004, Volume 386, Issue 4, pp. 460 - 467
Secondary structural characteristics of six commonly used force fields for protein systems developed by different research groups have been compared. We... 
MULTICANONICAL ALGORITHM | SOLUTION CONFORMATIONS | THERMODYNAMICS | RIBONUCLEASE-A | PHASE-TRANSITIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | C-PEPTIDE | MOLECULAR-DYNAMICS SIMULATIONS | BETA-HAIRPIN FORMATION | ENERGY LANDSCAPE | AQUEOUS-SOLUTION
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 10/2015, Volume 143, Issue 13, pp. 134114 - 134114
Molecular Dynamics (MD) and Monte Carlo (MC) simulations are the most popular simulation techniques for many-particle systems. Although they are often applied... 
LENNARD-JONES CLUSTERS | POLYMERS | ALGORITHM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | 1ST-ORDER PHASE-TRANSITIONS | CHEMISTRY, PHYSICAL | MULTICANONICAL ENSEMBLE | AGGREGATION | Histograms | Simulation | Phase transformations | Computer simulation | Conservation | Angular momentum | Molecular dynamics | Phase transitions
Journal Article
Journal Article
MOLECULAR SIMULATION, ISSN 0892-7022, 12/2012, Volume 38, Issue 14-15, pp. 1282 - 1296
Journal Article
CHEMICAL PHYSICS LETTERS, ISSN 0009-2614, 06/2004, Volume 391, Issue 4-6, pp. 248 - 253
We propose a new generalized-ensemble molecular dynamics simulation algorithm, which we refer to as the multibaric-multithermal molecular dynamics. This is the... 
TEMPERATURE | PHASE-TRANSITIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | MULTICANONICAL ENSEMBLE | STATE | ALGORITHMS | MONTE-CARLO SIMULATIONS | EQUATION
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 2004, Volume 383, Issue 3, pp. 391 - 396
We propose a new generalized-ensemble algorithm, which we refer to as the multibaric-multithermal Monte Carlo method. The multibaric-multithermal Monte Carlo... 
FLUIDS | PHASE-TRANSITIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | STATE | EQUATION | MULTICANONICAL ALGORITHMS | CRITICAL-POINT | Physics - Statistical Mechanics
Journal Article
Molecular Simulation, ISSN 0892-7022, 11/2017, Volume 43, Issue 13-16, pp. 1291 - 1294
Journal Article
Lobachevskii Journal of Mathematics, ISSN 1995-0802, 9/2017, Volume 38, Issue 5, pp. 978 - 985
Over the last two decades generalized ensemble Monte Carlo computer simulation studies employing multicanonical, Wang–Landau, or replica-exchange methods have... 
Geometry | Algebra | Monte Carlo simulations | Analysis | Mathematics, general | Probability Theory and Stochastic Processes | Mathematics | multicanonical method | semiflexible polymers | Mathematical Logic and Foundations | Monte Carlo method | Computer-generated environments | Polymer industry | Computer simulation | Polymers | Mathematical models | Knots
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 10/2009, Volume 5, Issue 10, pp. 2640 - 2662
Generalized-ensemble algorithms in temperature space have become popular tools to enhance conformational sampling in biomolecular simulations. A random walk in... 
MONTE-CARLO | MULTICANONICAL ALGORITHM | PHASE-SPACE | UNRES FORCE-FIELD | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | PARTICLE MESH EWALD | MOLECULAR-DYNAMICS SIMULATIONS | FREE-ENERGY | EFFICIENT | HISTOGRAM ANALYSIS METHOD | SUPERCOOLED LIQUIDS
Journal Article
Chemical Physics, ISSN 0301-0104, 2004, Volume 307, Issue 2, pp. 269 - 283
Secondary-structure forming tendencies are examined for six well-known protein force fields: AMBER94, AMBER96, AMBER99, CHARMM22, OPLS-AA/L, and GROMOS96. We... 
SOLUTION CONFORMATIONS | G B1 DOMAIN | RIBONUCLEASE-A | FREE-ENERGY LANDSCAPE | PHASE-TRANSITIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | MULTICANONICAL ENSEMBLE | C-PEPTIDE | MOLECULAR-DYNAMICS SIMULATIONS | MONTE-CARLO SIMULATIONS | BETA-HAIRPIN FORMATION
Journal Article
Journal Article
The European Physical Journal Special Topics, ISSN 1951-6355, 4/2017, Volume 226, Issue 4, pp. 551 - 565
Journal Article