Drug discovery, Computational Chemistry, Biology, Bioinformatics
Joined June 2009
- Tweets 465
- Following 1,945
- Followers 1,941
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112 Photos and videos
Jun 8
MolSoft LLC & XtalPi Inc. Partner to Integrate CombiRIDGE™ with the VAST™ Chemical Universe
We are excited to announce a strategic partnership between MolSoft LLC and XtalPi, an end-to-end workflow that bridges ultra-large-scale 3D VS molsoft.com/news.html
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11 May 2024
Please share - Latest publication from @MolSoft describing novel cutting-edge algorithm called GINGER, which efficiently generates high quality chemical conformers at lightning-fast speeds.
#compchem #machinelearning #drugdisovery
pubs.acs.org/doi/10.1021/acs…
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23 Apr 2024
Exciting collaboration between MolSoft and Liverpool Chiro Chem. #compchem #drugdiscovery #gpu #Chemistry #drugdevelopment
linkedin.com/posts/andreworr…
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30 Nov 2023
Introducing GINGER from MolSoft: a cutting-edge software designed for lightning-fast high quality conformer chemical library generation on GPUs. Read more... molsoft.com/GINGER.html
#computationalchemistry #neuralnetworks #compchem #drugdiscovery #drugdesign #GPU #nvidia
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2 Jun 2023
If you missed MolSoft’s “Advances in Physics and AI Methods for Drug Discovery” meeting see youtube.com/@MolSoftHelp/vid… . A huge thank you to all the exceptional speakers who shared their insights and to everyone who attended.
#drugdiscovery #drugdesign #compchem #AI #ML #gpu
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18 May 2023
Part Two of our online meeting is underway Advances in Physics and AI Methods for Drug Discovery - MolSoft ICM UGM 2023. lnkd.in/gfkPmtMM and see the schedule here lnkd.in/gD2tc-vF #drugdiscovery #drugdesign #compchem #AI #ML #gpucomputing #computationalchemistry
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18 May 2023
Day Two of this free online event will be starting soon. Advances in Physics and AI Methods for Drug Discovery - MolSoft ICM UGM 2023. Thttps://us06web.zoom.us/webinar/register/WN_iLQ-iFX5QSubkSCdDWcq6Q#/registration molsoft.com/training.html
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17 May 2023
Live now! Please join us for the second half of today's free online zoom meeting "Advances in Physics and AI Methods in Drug Discovery". Talks coming up on Ultra Large Library Screening, RNA modeling and drug discovery, PROTAC Modeling us06web.zoom.us/webinar/regi…
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3 May 2023
Join us for an exciting free online event: Advances in Physics and AI Methods for Drug Discovery - MolSoft ICM UGM 2023. Click the link to register us06web.zoom.us/webinar/regi… and see the schedule here molsoft.com/training.html #drugdiscovery #drugdesign #compchem #AI #ML #gpu
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5 Dec 2022
New publication from MolSoft. A novel bond graph-convolutional NN
architecture for learning statistical torsion profiles (GCNN-
STP). Application for quick qualitative strain calculations in CADD and conformational sampling.
pubs.acs.org/doi/10.1021/acs…
#compchem #neuralnetworks
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13 Nov 2022
MolSoft is excited to announce the release of a new ICM-Pro version 3.9-3. The new version contains a Torsion Profile Neural Network (NN) Prediciton Engine, Protonation State of Ligand vs pH tool, Compact Efficient GIGA Sized Screening Libraries, Automated PROTAC Modeling...
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13 Nov 2022
Molecular Dynamics (MD), New NN Ligand Docking and Screening Score and much more...
molsoft.com/new-features.htm…
#compchem #medchem #drugdiscovery
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16 Mar 2022
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4 Mar 2022
A recording of the webinar on PROTAC modeling in MolSoft's ICM-Pro Desktop Modeling Software.#PROTAC #DrugDiscovery #DrugDesign youtube.com/watch?v=PkYIT3sw…
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18 Feb 2022
Please join us for a free webinar on PROTAC modeling in ICM-Pro - free 14 day license key provided. Register here: zoom.us/webinar/register/WN_… #PROTAC #compchem #drugdesign #medicinalchemistry #drugdiscovery
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MolSoft LLC retweeted
4 Jan 2022
Was amused to find our V-SYNTHES paper mentioned in THIS blog in the same paragraph with Google's Isomorphic labs and InSilico Medicine clinical trials. Singularity is near! 😎
singularityhub.com/2022/01/0…
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21 Dec 2021
21 Dec 2021
Docking accuracy and fast/reliable cheminformatics are key for the V-SYNTHES method. @MolSoft ICM-Pro provides an excellent platform for both!
nature.com/articles/s41586-0…
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