Does anybody have experience with external GPU (eGPU) for molecular dynamics?

eGPU is quite portable and similar price to conventional graphics card. I am wondering if the CPU-GPU connection is fast enough to write down output on hard-disk and not make so big delay. My...

09 October 2018 527 3 View

Why is dissolved oxygen often neglected from molecular dynamics simulations in physiological conditions?

02 March 2017 4,155 3 View

When two proteins bind together, what buried amino acid characteristics are an entropy advantage? and why?

01 February 2017 2,890 4 View

What is a minimium/representative number of protein structures (in PDB) to perform a study on a general structural characteristic?

For example, if we want to study frequency of a specific mutation (very common codon change) and its structural consequences. From an evolutionary or universal point of view, what is minimum...

31 December 2016 3,308 3 View

How does the impact factor change with increasing number of respected journals? should it decrease with time?

Since the impact factor indicates the citations of a respected journal, then with increasing number of journals shouldn't the citations be distributed somehow.. resulting in a decrease of impact...

05 June 2016 8,586 2 View

Does climate change affect the bioavailability of heavy metals in soil and water resources?

And which heavy metals are more susceptible to be affected?

03 April 2016 4,108 4 View

Simplified multiplication, how many solutions for N?

(X)(Y) = (N-X)(N-Y) + N(X+Y-N) This is representation of how we used to teach children multiplication on their ten fingers by overlapping two numbers from opposite sides and multiplying the...

31 December 2015 661 1 View

Any advice on Metallothioneins and Golgi aparatus?

11 December 2015 2,364 1 View

How long do you think researchgate will survive without ads and sales representatives?

07 August 2015 4,094 0 View

What will happen if all papers submitted are published with reviewers opinions in footnotes?

As much as everyone complain from reviewers' comments, these can provide valuable information to researchers in general. Do you think reviewers (and editors) opinions will change if they knew they...

07 August 2015 447 6 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

How to analyze a particular region of my simulation box in GROMACS?

Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...

03 March 2021 9,989 2 View

Why does blocking with my immunogenic peptide cause nuclear fluorescence in ICC?

Hi all, I am validating a polyclonal antibody raised against human ANT4, through WB and ICC. In most of my controls, the antibody shows very little off-target binding, but when I pre-incubate the...

03 March 2021 5,999 3 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

Arena simulation - how do i model the following model in ARENA (see description) (new to ARENA)?

Hello, I'm fairly new to ARENA and I have the following problem: I have two queues in which, in each queue, a different order type arrives (both having an arrival rate of exponential 10). Order...

02 March 2021 2,431 3 View