An enhanced version of SMMP—open-source software package for simulation of proteins

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An enhanced version of SMMP—open-source software package for simulation of proteins is …
instance of (P31):
scholarly articleQ13442814

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P8978DBLP publication IDjournals/cphysics/EisenmengerHHH06
P356DOI10.1016/J.CPC.2005.10.013
P894zbMATH Open document ID1196.82046

P2093author name stringFrank Eisenmenger
Chin-Kun Hu
Shura Hayryan
Ulrich H.E. Hansmann
P2860cites workThe Protein Data BankQ24515306
Satisfying hydrogen bonding potential in proteinsQ27860940
ICM?A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformationQ29010774
ARVO: A Fortran package for computing the solvent accessible surface area and the excluded volume of overlapping spheres via analytic equationsQ29396390
Energetic coupling between DNA bending and base pair openingQ33651506
Characteristic temperatures of folding of a small peptideQ36591460
CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsQ53340989
AMBER: Assisted model building with energy refinement. A general program for modeling molecules and their interactionsQ53341450
A new analytical method for computing solvent-accessible surface area of macromolecules and its gradientsQ58429806
[SMMP] A modern package for simulation of proteinsQ58429998
P433issue5
P921main subjectsoftwareQ7397
open-source softwareQ1130645
software packageQ1995545
P6104maintained by WikiProjectWikiProject MathematicsQ8487137
P304page(s)422-429
P577publication date2006-03-01
P1433published inComputer Physics CommunicationsQ5157466
P1476titleAn enhanced version of SMMP—open-source software package for simulation of proteins
P478volume174

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cites work (P2860)
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Q46303997Comparison of predicted native structures of Met-enkephalin based on various accessible-surface-area solvent models
Q51925984Efficient combination of Wang-Landau and transition matrix Monte Carlo methods for protein simulations
Q30370678Enveloping triangulation method for detecting internal cavities in proteins and algorithm for computing their surface areas and volumes.
Q35062379Evaluation of reduced point charge models of proteins through Molecular Dynamics simulations: application to the Vps27 UIM-1-Ubiquitin complex.
Q30394577Fast and Accurate Accessible Surface Area Prediction Without a Sequence Profile
Q54403688Free-energy-driven folding and thermodynamics of the 67-residue protein GS-alpha3W--a large-scale Monte Carlo study.
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Q87292583Multicanonical Monte Carlo simulations of a de novo designed protein with end-to-end β-sheet
Q53856422On the helix-coil transition in alanine based polypeptides in gas phase
Q38393339Optimized folding simulations of protein A.
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Q59131788Robust Bio-active Peptide Prediction Using Multi-objective Optimization
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Q61730766The Mont-Blanc Prototype: An Alternative Approach for HPC Systems
Q37279490Thermostability of the N-terminal RNA-binding domain of the SARS-CoV nucleocapsid protein: experiments and numerical simulations
Q45955724Three-dimensional protein structure prediction: Methods and computational strategies.
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Q58429541Universal geometrical factor of protein conformations as a consequence of energy minimization
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