HTMD - Home

Molecular modelling made simple. Build, run and analyse simulations. Over the system rename, select, translate as you wish. System building from PDB to solvated ionized system in few steps. Resname DUM and name O. Resname DUM and name N. Your favorite ligand with a simple command using AutoDock VINA algorithm. CHARMM and AMBER forcefields. Equilibration and production simulation inputs. Submit simulations locally or over the Cloud. Ensemble simulation analysis using Markov State Models.

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HTMD.ORG HISTORY

The site htmd.org was began on on July 25, 2013. It is now five hundred and seventy-one weeks, eleven days, three hours, and twenty-three minutes old.
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Multiscale Laboratory

Welcome to the Multiscale lab. Computational sciences in biomedicine and machine learning. The group research interests are rooted in application of computation to solve real world problems. Specifically, we develop new methods and algorithms and we apply them to computational chemistry, drug design, protein folding, etc. The group and the spin-off company Acellera has collaborated with major industries worldwide like Sony, Nvidia, HTC mobile, UCB, Pfizer, etc. In this new research .

Latest topics - HTMD Forum

Htmd -h does not work if MATLAB is installed. ACEMD forum moves to htmd forum. Pcode classes not loaded in matlab in MATLAB interactive mode. Runner none library version warning. TICA object cannot be saved. send function hangs up when Tk Console is opened.

2nd Workshop on High-Throughput Molecular Dynamics 2015 - 2nd Workshop on High Throughput Molecular Dynamics 2015

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CONTACTS

ACELLERA LTD SocietaDitta

ACELLERA LTD SocietaDitta ACELLERA LTD SocietaDitta

Fitzroy square, 17

London, GB, W1T6EQ

IT

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HTMD - Home

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Molecular modelling made simple. Build, run and analyse simulations. Over the system rename, select, translate as you wish. System building from PDB to solvated ionized system in few steps. Resname DUM and name O. Resname DUM and name N. Your favorite ligand with a simple command using AutoDock VINA algorithm. CHARMM and AMBER forcefields. Equilibration and production simulation inputs. Submit simulations locally or over the Cloud. Ensemble simulation analysis using Markov State Models.

PARSED CONTENT

The site htmd.org states the following, "Build, run and analyse simulations." I noticed that the webpage said " Over the system rename, select, translate as you wish." They also stated " System building from PDB to solvated ionized system in few steps. Resname DUM and name O. Resname DUM and name N. Your favorite ligand with a simple command using AutoDock VINA algorithm. Equilibration and production simulation inputs. Submit simulations locally or over the Cloud. Ensemble simulation analysis using Markov State Models."

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