CHARMMing: a new, flexible web portal for CHARMM.

scientific article published on 13 August 2008

CHARMMing: a new, flexible web portal for CHARMM. is …
instance of (P31):
scholarly articleQ13442814

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P8978DBLP publication IDjournals/jcisd/MillerSKHBW08
P356DOI10.1021/CI800133B
P932PMC publication ID2676146
P698PubMed publication ID18698840
P5875ResearchGate publication ID23166657

P50authorHenry WoodcockQ74214209
Benjamin L. MillerQ37828756
P2093author name stringJeffery B Klauda
Bernard R Brooks
Rishi P Singh
Milan Hodoscek
P2860cites workProtein surface conservation in binding sites.Q51886523
Protein-protein binding-sites prediction by protein surface structure conservation.Q51918862
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Distributed computing in practice: the Condor experienceQ56503691
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The crystallographic information file (CIF): a new standard archive file for crystallographyQ57602039
A unified formulation of the constant temperature molecular dynamics methodsQ59540413
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculationsQ79864597
CHARMM-GUI: a web-based graphical user interface for CHARMMQ80900573
Constant pressure molecular dynamics simulation: The Langevin piston methodQ108393066
Canonical dynamics: Equilibrium phase-space distributionsQ21709091
Genetically crosslinked hemoglobin: a structural studyQ22254746
The Protein Data BankQ24515306
Structure of the cross-beta spine of amyloid-like fibrilsQ24548308
The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and BioinformaticsQ27061829
All-atom empirical potential for molecular modeling and dynamics studies of proteinsQ27860468
VMD: visual molecular dynamicsQ27860554
Scalable molecular dynamics with NAMDQ27860718
The Amber biomolecular simulation programsQ27860745
GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular SimulationQ27860944
Development and testing of a general amber force fieldQ29547642
RASMOL: biomolecular graphics for allQ29547757
Automatic atom type and bond type perception in molecular mechanical calculationsQ29616744
Very fast empirical prediction and rationalization of protein pKa valuesQ29619767
MMTSB Tool Set: enhanced sampling and multiscale modeling methods for applications in structural biology.Q30341299
Automated builder and database of protein/membrane complexes for molecular dynamics simulationsQ33298604
Advances in methods and algorithms in a modern quantum chemistry program package.Q34556469
Computational Science and Engineering Online (CSE-Online): a cyber-infrastructure for scientific computingQ38453110
P433issue9
P921main subjectCHARMMQ902642
P304page(s)1920-1929
P577publication date2008-08-13
P1433published inJournal of Chemical Information and ModelingQ3007982
P1476titleCHARMMing: a new, flexible web portal for CHARMM
P478volume48

Reverse relations

cites work (P2860)
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