Do you know about gradient based local search in Autodock Vina?

05 May 2015 0 8K Report

At bellow you can see operation methodology in AD and Vina. I want to understand the concept of gradient based local search in Vina.

Best regards.

Mohamad

Badges
Science method

Similar topics
Methodology

More Mohamad Akbari's questions See All

Do you know any way for reducing the number of selected variable in Modeling With SPSS MLR Stepwise?

Hi One of the best methods for variable selection and generation predictive model its MLR Stepwise that exist in SPSS software. I try to use this method for selection of 80 variables to make MLR...

08 September 2015 2,080 4 View

Why is the solubility of Naringin in water low?

Why Naringin solubility in water is low but solubility of this compound in aprotic solvent like THF and DMF is high? I wanna the reason of this phenomena from organic perspective. Best...

08 September 2015 2,998 7 View

How can I do leave one out cross validation?

I make statistic linear model with spss or/with matlab. I wanna to cross validate this model but i have 2 problem. at first, suggest me a way in spss or much better to say in matlab to show me...

04 May 2015 5,154 15 View

Can any body suggest me a toturial or guid to make linear QSAR model?

I have many descriptors and i want to make QSAR model, so anybody know a paper or tutorial to explain process with software like SPSS , Matlab .... Best regards.

31 December 2014 7,990 1 View

Do you know any way to use any force field in matlab?

I work in molecular docking,actually i try to make docking program in Matlab, my searching algorithm write in Matlab but i have problem to find force field for interaction calculation(scoring). So...

31 December 2014 5,394 4 View

How to improve the result of LSSVM (toolbox) for regression model?

Hi dear How we can improve the result of lssvm in regression model, I find the best result for 81 sample with 7 variables as well R2=0.84. Is there any way to improve this result in lssvm toolbox...

01 January 1970 6,208 3 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

Which Scopus Journal provides the most affordable fees?

"PUBLISHING IN A SCOPUS JOURNAL" Researchers are now at a cross road. The critical need to publish in a Scopus or ISI, etc journal is ever vital. Journal Publication fees must be submitted....

10 August 2024 8,621 1 View

Seeking Advice on Viability and Execution of Undergraduate Thesis Topic?

Hello everyone, I am currently developing a thesis proposal and would appreciate your input on its viability and how to effectively carry it out. My proposed topic is: "Does the perceived threat...

10 August 2024 8,992 0 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

Who will be moral responsible for the death of thousands of people in the event of an earthquake?

Who will bear moral responsibility for the deaths of thousands of people in the event of an earthquake? Weeks and months remain before the onset of strong earthquakes that bring death to...

08 August 2024 6,134 12 View

How to confirm the site-directed mutagenesis result without performing NGS?

I'm cloning a fragment of 3200 nts into plasmid. The cloning was successful, however, 02 amino acids were mutated. Now I want to fix these 02 aa by site-directed mutagenesis technique using...

08 August 2024 4,645 2 View

I can't see the ssDNA band after performing asymmetric PCR. Is there any way to do this?

After performing symmetric PCR, PCR purification was performed. Afterwards, asymmetric PCR was performed using the PCR purification product as a template, but no ssDNA band was confirmed in the...

08 August 2024 1,668 3 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