What are the other properties that should be in proteins to classify them as drug-targets is bacteria or fungi?

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How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

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Please help in identification of this insect?

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How to match the XRD of a compound for which there is no JCPDS file ? Is there any other characterization to claim the synthesis of desired compound?

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Can anyone suggest me broad host range fluorescence expression vectors for Gram-positive bacteria ?

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error in running a model in Abaqus

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error in modelling model in Abaqus

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MD MOE RMSD

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MD MOE RMSD

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MGL tools

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fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

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fatal error

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fatal error

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fatal error

16 June 2021 0 0 View

i have some problem with chtMultiRegionSimpleFoam

--> FOAM FATAL ERROR: Maximum number of iterations exceeded From function Foam::scalar Foam::species::thermo::T(Foam::scalar, Foam::scalar, Foam::scalar, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar) const) const [with Thermo = Foam::hConstThermo >; Type = Foam::sensibleEnthalpy; Foam::scalar = double; Foam::species::thermo = Foam::species::thermo >, Foam::sensibleEnthalpy>] in file /home/ubuntu/OpenFOAM/OpenFOAM-4.1/src/thermophysicalModels/specie/lnInclude/thermoI.H at line 66. FOAM aborting #0 Foam::error::printStack(Foam::Ostream&) at ??:? #1 Foam::error::abort() at ??:? #2 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::calculate() at ??:? #3 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::correct() at ??:? #4 ? at ??:? #5 __libc_start_main in "/lib/x86_64-linux-gnu/libc.so.6" #6 ? at ??:?

24 March 2021 0 0 View

Akhil Kumar

target any protein which is essential pathway for the survival of bacteria or fungi.

Or target the cell division or cell wall (if were tha case) forming protein.

Chris Morris

Receptors are good targets, because the drug does not have to enter the cell. Proteins expressed in large quantity are poor targets, because you need a lot of drug. Proteins with fewer variants are better targets, because it may be harder for the pathogen to evolve resistance.