What does root mean square deviation(RMSD) mean. How is it useful wehile developing pharmacophore models and QSAR models?

08 August 2015 0 8K Report

Badges
Science topic

Similar topics
Philosophy Of Science
Models

More Nabeela Akbar Sayed's questions See All

Is there a way by which side effects of drugs can be reduced by altering the structure of a drug?

I want to work towards decreasing side effects of a particular class of drugs. Can anyone guide me as to how this can be done.

09 October 2015 3,445 0 View

What is difference between HypoGen and HipHop which are modules for generation of Pharmacophore models?

What is difference between HypoGen and HipHop which are modules for generation of Pharmacophore models? Which method should be used when. Advantages and disadvantages of each.

07 August 2015 8,734 0 View

What does a subgenomic replicon assay mean?

what does a subgenomic replicon assay mean? I came across this term in various papers but could not understand it. Can someone please explain its meaning in simple language.

07 August 2015 1,554 0 View

What does a truncated protein mean?

I have come across the term truncated N terminal various times in several papers. I want to know the importance of truncation and what it means. Why truncation is used.

07 August 2015 7,402 1 View

What does refinement mean in protein preparation?

There are various steps in protein preparation. One of them is refinement. Why is it required?

07 August 2015 9,614 0 View

What does asupramolecular interaction mean?

With respect to interaction between a ligand and a protein what does a supramolecular interaction mean?

07 August 2015 3,992 0 View

Convergence what does it mean in protein preparation?

In protein preparation why is restrained minimization in vacuum needed. What does convergence criteria for heavy atom RMSD mean. What is its importance. What happens if minimization is performed...

07 August 2015 525 0 View

What are tail anchored proteins?

what are tail anchored proteins

07 August 2015 1,347 0 View

What are the uses, advantages and disadvantages of Molecular dynamics simulations?

In molecular docking we can perform Molecular dynamics. What are the potential uses and how to interpret results in Molecular dynamics.

07 August 2015 5,942 1 View

What does a vector attribute mean and its importance in Phaermacophore modelling using PHASE provided by Schrodinger?

what does a vector attribute mean and its importance in Phaermacophore modelling using PHASE provided by Schrodinger?

07 August 2015 7,002 0 View

How can I prepare virus for a TEM or SEM imaging?

I have virus (viral hemorrhagic septicemia virus) in suspension and the experiment will not involve cells. What level of TCID50 is preferred?

11 August 2024 3,115 1 View

Handling Missing Data and Building a Predictive Model with Incomplete Information ?

I am developing a predictive model for a water supply network that involves 20 influencing points. However, I only have historical data for 10 out of these 20 points. I would like to know how to...

10 August 2024 4,005 2 View

Is it possible to use the Fused Deposition Modeling (FDM) to additively manufacture interconnected porous structure generation of >100-200 micrometer?

Usually, additive manufacturing techniques like SEBM, SLS, and SLM are used for interconnected porous lattice structure generation with sizes of >100–200 micrometers. Can the Fused Deposition...

09 August 2024 7,892 0 View

How to define an anisotropic material with asymmetric elastic compliance/stiffness matrix in ANSYS APDL?

I need to model an anisotropic material in which the Poisson's ratio ν_12 ≠ ν_21 and so on. Therefore, the elastic compliance matrix wouldn't be a symmetric one. In ANSYS APDL, for TB,ANEL...

09 August 2024 5,048 2 View

How can I apply boundary conditions in an orthotropic steel deck numerical model using ABAQUS software?

I am trying to simulate vehicular loading on an orthotopic steel deck bridge section in ABAQUS software. The red arrow mark in the attached figure indicates the direction in which the vehicle will...

08 August 2024 719 0 View

Can you suggest reliable sources defining "3D mesh" and "3D city models"?

Dear fellow researchers, I am currently working on a paper where I need to provide a reliable reference that defines and distinguishes between 3D mesh models and 3D city models. Although I am...

06 August 2024 9,986 2 View

Please explain how the plastic input value should be considered from the true stress-strain curve for the bilinear elastoplastic material model ?

I am working on Abaqus/Explicit(Quasistatic ) for the deformation of the auxetic structure model. Please explain how the plastic input value should be considered from the true stress-strain curve...

05 August 2024 454 3 View

"A Markov-like Model for Patient Progression"?

A Markov-like Model for Patient Progression" Markov Chain Monte Carlo (MCMC) Markov Chain Monte Carlo (MCMC) is a powerful computational technique used to draw samples from a probability...

05 August 2024 10,079 0 View

What are the shear and normal stiffness values of an LLDPE liner in 3D numerical modeling of a stockpile?

I am seeking experimental or applicable data for the liner (LLDPE) interface in FLAC3D numerical modeling of a large stockpile. Could you please recommend suitable references? The preferred data...

05 August 2024 3,665 0 View

How to report results of Generalised Linear Mixed Models in a journal article?

Hi everyone, If you have written or come across any papers where Generalised Linear Mixed Models are used to examine intervention (e.g., in mental health) efficacy, could you please share the...

04 August 2024 4,130 4 View