Andrew Orry

Interested in structural biology, medicinal chemistry and pharmaceutical industry news.

[Andrew Orry @AndrewOrry]

@macinchem @MolSoft Yes ICM-Pro runs on Mac OS Ventura.

[Fábio Fonseca @FbioFon84085623]

ICM 3D Ligand Editor: Structure-Based Docking For Leading Optimization (MolSoft Molecules In Silico) https://t.co/ue9qOPV5CU

[Andrew Orry @AndrewOrry]

@andrewwhite01 You can try iMolView on Android and Apple iOS https://t.co/5yO85vQNE3

[MolSoft LLC @MolSoft]

If you missed MolSoft’s “Advances in Physics and AI Methods for Drug Discovery” meeting see https://t.co/vVv0xg2BOH . A huge thank you to all the exceptional speakers who shared their insights and to everyone who attended.
#drugdiscovery #drugdesign #compchem #AI #ML #gpu

[MolSoft LLC @MolSoft]

Part Two of our online meeting is underway Advances in Physics and AI Methods for Drug Discovery - MolSoft ICM UGM 2023. https://t.co/H23cSwbmV4 and see the schedule here https://t.co/6O4S55yTTQ #drugdiscovery #drugdesign #compchem #AI #ML #gpucomputing #computationalchemistry

[MolSoft LLC @MolSoft]

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 https://t.co/SD3DX7fd2P

[Foundation for Armenian Science and Technology @Foundation_FAST]

🔬 The Molecular Pharmacology workshop has come to an end, and what a success it was! Two days filled with insightful lectures by Prof. Abagyan.
Interested in pursuing a career in this field? Apply now for our "Drug Discovery" research project https://t.co/Bt4EkaEFPU

[Andrew Orry @AndrewOrry]

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 https://t.co/csHwpOaySh and see the schedule here https://t.co/B0fnThQNWA #drugdiscovery #drugdesign #compchem #AI #ML #gpu

[JCIM & JCTC Journals @JCIM_JCTC]

Graph-Convolutional Neural Net Model of the Statistical Torsion Profiles for Small Organic Molecules #GraphNeuralNetworks #GNNs #compchem
https://t.co/UG3t75Oebt
@ruben_abagyan
#vol62 #issue23 #JCIM #MachineLearning #DeepLearning

[Andrew Orry @AndrewOrry]

@jessica_a_nash We have quite a few compchem and molecular modeling tutorials here on YouTube for MolSoft ICM - we can send you a license key if you want to try the examples https://t.co/bvs6moIKEA

[MolSoft LLC @MolSoft]

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.
https://t.co/VoYw3hRsjy
#compchem #neuralnetworks

[GeneCentrix @GeneCentrix]

@Molsoft's ICM-Pro, ICM-Bio, and ICM-Chemist-Pro now include #HistoReceptomics analysis! This leverages the full suite of #ICM's structure-based #drugdesign and industry-leading graphics for our tissue-based approach. Get your license today: https://t.co/6WtKalqN5j #AI #BigData

[Andrew Orry @AndrewOrry]

@macinchem @MolSoft Yes ICM-Pro runs on Mac OS Ventura.

[MolSoft LLC @MolSoft]

Molecular Dynamics (MD), New NN Ligand Docking and Screening Score and much more...
https://t.co/ywbPgLACYN
#compchem #medchem #drugdiscovery

[MolSoft LLC @MolSoft]

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...

[Egor Marin @egor__marin]

Namely, we imitated 3 different virtual screening campaigns using known S1P5R ligands (from ChEMBL / patents) as ground truth. All 3 benchmarks had ~10 ligand imbalance (less actives than inactives), and Molsoft's ICM as docking framework.

[Andrew Orry @AndrewOrry]

@jessica_a_nash We have quite a few compchem and molecular modeling tutorials here on YouTube for MolSoft ICM - we can send you a license key if you want to try the examples https://t.co/bvs6moIKEA

[Chemspace @Chem_space]

3D Chemical Spaces from MolSoft are now available on a NEW dedicated page on our website! Don’t forget to check it out: https://t.co/eJn2xR4FcM
.
#chemspace #organicchemistry #drugsynthesis #science #openscience #research #drugdiscovery #chemicals

[Eric Topol @EricTopol]

This is our @CDCgov
X No warning on BA.5
X Still says 2 vaccine doses ="fully vaccinated"
X Says 5 days is all that's needed for isolation when 5 days is the median length of infectiousness
X 1 in 4 age 50+ w/ 2nd booster (<-survival benefit)
X Transmission is the accurate map👇

[GeneCentrix @GeneCentrix]

Discoveries are in bloom! We got a #NIDA grant to use our #AI #historeceptomics technology to uncover a new treatment for #OUD (opiod use disorder) along with folks at @Penn, @nyulangone & @MolSoft. Curious about our approach? See our bio for a Free Trial. @NIH #drugdiscovery