What is the experimental water-octanol partition coefficient of cholesterol?

Please, send a paper on this subject If you have or know about It.

08 September 2018 8,208 0 View

Can anyone suggest a literature about small interference RNA (siRNA)?

I am interested in leaning about the structure prediction and design, molecular mechanisms and biological functions of siRNA, gene silencing (in special the PTK7 gene), and transfection using...

07 August 2018 3,214 6 View

What is the most suitable PEG for encapsulating peptides in order to reach the alveoli regions by inhalation?

I would like to make PEG-peptides nanoparticules to reach the alveoli regions by inhalation.

06 July 2018 2,594 1 View

What is the reproducibility of the umbrella sampling for calculating free energies in order to estimate the oil-water partition coefficient?

The calculation of the free Gibbs energy of transferring a molecule from the aqueous phase to octanol phase (or vice versa) by using umbrella sampling in order to estimate the oil-water partition...

05 June 2018 2,023 0 View

How to build reduced coarse grained models for phospholipids with two ir three beads?

Please, tell me any good paper or web site to download models.

04 May 2018 6,176 1 View

What is the best suitable method for measuring the partition coefficient logP (or distribution coefficient, logD) for ionizable compounds (drugs)?

Potentiometric or HPLC?

04 May 2018 8,296 0 View

Have you worked with beta-defensin-3 as an antimicrobial agent? What is its effect in the lung surfactant?

I am interest in getting more information on the interaction of beta-defensin-3 with lung surfactant and bacteria.

03 April 2018 6,614 0 View

Have you worked with Naringenin and Naringin as antimicrobial agents? What is the effect of their interaction with lung surfactant and bacteria?

I am interested in getting more information about this subject.

03 April 2018 4,114 0 View

How can I perform error analysis in umbrella sampling simulations?

Do you have any program to evaluate the statistical error in umbrella sampling?

01 February 2018 3,488 0 View

Has anyone encapsulated antimicrobial peptides for drug deliever to lung?

Please, let me know any procedure or paper about this subject.

07 August 2017 1,371 3 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

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.

16 June 2021 0 0 View

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.

16 June 2021 0 0 View

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.

16 June 2021 0 0 View

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.

16 June 2021 0 0 View

What kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...

03 March 2021 5,978 5 View

No title

02 March 2021 3,060 3 View

How to normalise data on OPM package from R Studio ?

Good afternoon, I recently used OmniLog from BIOLOG for my experimentations : I tested the metabolism of different strains on 2 types of plates. I have 16 strains of 3 different groups...

02 March 2021 3,584 1 View

How to repeat an operation on an atom selection for multiple times in PyMol?

Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...

02 March 2021 4,569 4 View