shinji iida
@_siida_Computational chemist | Assistant professor | I tweet about research.| #compchem
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#compchem Read my latest review article, published with @SpringerNature in @BiophysicalRev1 "Free energy andkinetic rate calculation via non‑equilibrium molecular simulation: application tobiomolecules" Read here: rdcu.be/c4BBD
Specific protein-RNA interactions are mostly preserved in biomolecular condensates | Science Advances science.org/doi/10.1126/sc…
A Reference Data Set for Circular Dichroism Spectroscopy Comprised of Validated Intrinsically Disordered Protein Models biorxiv.org/content/10.110…
Any @mdanalysis users at #BPS2024 - come find me to get your hands on some shiny MDAnalysis stickers - now featuring a small selection of cat-based stickers! Look for the pink hair, or come by my poster B374 on Tuesday and also hear about my work with sugar transporters
Polarizable AMOEBA Model for Simulating Mg2+·Protein·Nucleotide Complexes | Journal of Chemical Information and Modeling pubs.acs.org/doi/10.1021/ac…
#compchem His fantastic MD-based method (Multicanonical) is able to see accurate binding poses on an RNA as well. I've always learnt a lot. Binding Mechanism of Riboswitch to Natural Ligand Elucidated by McMD-Based Dynamic Docking Simulations | ACS Omega pubs.acs.org/doi/full/10.10…
Sequence-Dependent Conformational Transitions of Disordered Proteins During Condensation biorxiv.org/content/10.110…
Block averaging is used to reduce autocorrelation in a trajectory of non-i.i.d. random variables, thereby producing a set of block averages independent. Using block averages to calculate statistical errors in estimates of the... youtu.be/0KqCK0yG9T0?si… via @YouTube
AlphaFold2 has more to learn about protein energy landscapes biorxiv.org/cgi/content/sh… #biorxiv_bioinfo
I'll be presenting my (spotlight) paper "Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein Structure" at the #NeurIPS23 @genbio_workshop Stop by or reach out to me if you want to chat before then! openreview.net/forum?id=Z4ia7…
Intriguing recap. Space exploration: finding new protein conformations using AlphaFold2 nature.com/articles/s4159…
Please RT! The #ISQBP2024 President's meeting will take place 19-23 May in Athens, Greece! We are now accepting abstract submissions for oral and poster presentations: isqbp2024.org Early-bird registration: 1 February 2023 Looking forward to welcoming all in Athens!
Force Field Analysis Software and Tools (FFAST): Assessing Machine Learning Force Fields under the Microscope | Journal of Chemical Theory and Computation pubs.acs.org/doi/10.1021/ac…
Investigation of Rare Protein Conformational Transitions via Dissipation-Corrected Targeted Molecular Dynamics | Journal of Chemical Theory and Computation pubs.acs.org/doi/10.1021/ac…
I have a chat with Gisbert in the chemoinformatics autumn school in Japan, and he always encourages me to make progress for my research 😊
I am delighted to announce publication of the 4th edition of Linear Algebra Done Right as an Open Access book. The electronic version is legally free to the world at linear.axler.net. That website also has links to pre-order the print version of the book. #linearalgebra
Less than one week left to submit your work to the #ELLIS ML4Molecules workshop! ⏰ Don’t miss out 💪🏻 👉moleculediscovery.github.io/workshop2023/ Deadline: Oct 23, 2023!
📢 Very happy to announce the 2023 #ELLIS workshop on #ML for molecules! It will explore many cool topics, e.g. large language models, explainable AI, generative deep learning, automation & more 🚀 👉moleculediscovery.github.io/workshop2023 w/ @pschwllr, @MicheleCeriotti & Andrea Volkamer 💪🏻
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