AMBER md @ambermdprog

Amber is a suite of biomolecular simulation programs. ambermd.org Joined January 2014

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Miranda Quintana Group @GroupQuintana

3 years ago

Happening now! @Al__Perez killing it at the @ambermdprog conference #compchem @UFChemistry

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AMBER md @ambermdprog

3 years ago

AMBER developers meeting 2023

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Hi @LatinXChem, this is my work "Design and Application of Unnatural Base Pairs (UBPs) for Genetic Alphabet Expansion toward Semi-Synthetic Organism: A Classical MD approach" #LatinXChem22 #LXChemBio #BIO116 #MD #PolarizableForceField @CisnerosRes

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Andreas Goetz (@[email protected]) @awgoetz

3 years ago

Having fun with the @SDSC_UCSD student cluster competition team. #HPC #SC22

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Nullius in verba @kmerz1

3 years ago

So excited to be working with @awgoetz @darrinyork_lbsr and Metin Aktulga on this CSSI project! Amping up AMBER! @ambermdprog bit.ly/3SHJmnd @NSF @MolSSI_NSF

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LatinXChem @LatinXChem

3 years ago

Our scientific commitee is made up by top Latin American researchers in their fields, all of them focused on the dissemination of science and scientific collaboration throughout the world

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ISQBP @isqbp

3 years ago

Tom Cheatham receives the Gilda Loew Lectureship. Congratulations! #ISQBP2022

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Gabriel Merino @theochemmerida

3 years ago

I am honoured to have been elected as a member of the World Association of Theoretical and Computational Chemists (WATOC) Board. #WATOC2022 #ChemComp

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Andreas Goetz (@[email protected]) @awgoetz

3 years ago

Nice to see our review on recent literature for QM in bio out. #compchem #quantum #machinelearning #drugdesign

Nullius in verba @kmerz1

3 years ago

Nice to see our review on recent literature for QM in bio out. #compchem #quantum #machinelearning #drugdesign

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Vinícius Cruzeiro @vwcruzeiro

3 years ago

2022 Amber developers meeting. It was awesome to spend valuable time with these folks and see all the cool things coming into Amber soon. #CompChem @ambermdprog @ACSCOMP

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Andreas Goetz (@[email protected]) @awgoetz

3 years ago

At the Amber developers meeting. Nice to see colleagues and friends in person again! Looking forward to science and software discussions. #ambermd #compchem

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Adrian Roitberg 🏳️‍⚧️ @adrian_roitberg

3 years ago

Amber-Developers meeting near Tampa, Florida! Last night sunset, this morning’s sunup, and developers still sleepy.

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AMBER md @ambermdprog

3 years ago

prepareforleap: An automated tool for fast PDB-to-parameter generation doi.org/10.1002/jcc.26… #CPPTRAJ #AMBERMD

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@simmerling @simmerling

4 years ago

Our most recent paper with Dan Raleigh is out in JPC-B: interactions in protein denatured state probed via combination of expt and @ambermdprog alchemical free energy. pubs.acs.org/doi/full/10.10… @jpcb_papers @SBUChemistry @LauferCenter

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Nullius in verba @kmerz1

5 years ago

@ambermdprog First of three!

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AMBER md @ambermdprog

5 years ago

The 2021 Amber developers meeting has begun! held virtually for the first time..

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@simmerling @simmerling

5 years ago

Our new preprint with @RobCRizzo explores simulations of #SARSCoV2 spike RBD opening dynamics, pathways, free energy landscapes, mutations and virtual screening to probe a conserved hinge region. Thanks @AmaroLab for initial models! doi.org/10.26434/chemr…

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Adrian Roitberg 🏳️‍⚧️ @adrian_roitberg

5 years ago

@daviddesancho If you wait for the Ampere cards, there is a new feature called MIG. You can partition your physical card into I think 8 virtual cards and run one MD in each partition assuming you have enough memory. As soon as we get our hands on one, we will try to test Amber and remd there

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PLUMED @plumed_org

5 years ago

Tired of the usual online cooking classes? Check out the new PLUMED Masterclass: a series of virtual and interactive lectures on @zoom_us focused on basic and advanced topics in #moleculardynamics #compchem #OpenSource. Places are limited! Register now: plumed.org/masterclass

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Tristan Croll @CrollTristan

5 years ago

- Interactive MD basis (engine: @openmm_toolkit; forcefield: @ambermdprog) works to keep interactions physically reasonable; - real-time validation of protein backbone and sidechain geometry; - continuously updated crystallographic maps. (4/17)