Generative artificial intelligence in drug discovery: basic framework, recent advances, challenges, and opportunities
There are two main ways to discover or design small drug molecules. The first involves fine-
tuning existing molecules or commercially successful drugs through quantitative structure …
tuning existing molecules or commercially successful drugs through quantitative structure …
Wielding the power of interactive molecular simulations
Since the dawn of the computer age, scientists have designed devices to represent
molecular structures and developed tools to simulate their dynamic behavior in silico. To this …
molecular structures and developed tools to simulate their dynamic behavior in silico. To this …
Optimizing drug design by merging generative ai with active learning frameworks
I Filella-Merce, A Molina, M Orzechowski, L Díaz… - arXiv preprint arXiv …, 2023 - arxiv.org
Traditional drug discovery programs are being transformed by the advent of machine
learning methods. Among these, Generative AI methods (GM) have gained attention due to …
learning methods. Among these, Generative AI methods (GM) have gained attention due to …
A field guide for implementing a flipped classroom
P Poulain, M Bertrand, H Dufour… - … and Molecular Biology …, 2023 - Wiley Online Library
The way flipped classrooms are perceived and even practiced by teachers is sometimes
approximate. For instance, while the Covid‐19 pandemic has pushed many universities to …
approximate. For instance, while the Covid‐19 pandemic has pushed many universities to …
PyRosetta Jupyter notebooks teach biomolecular structure prediction and design
KH Le, J Adolf-Bryfogle, JC Klima, S Lyskov… - The …, 2021 - meridian.allenpress.com
Biomolecular structure drives function, and computational capabilities have progressed such
that the prediction and computational design of biomolecular structures is increasingly …
that the prediction and computational design of biomolecular structures is increasingly …
Increasing faculty involvement in the undergraduate interdisciplinary learning experience
Synospis More and more, we see that advances in life sciences are made because of
Interdisciplinary collaborations. These collaborations are the future—they are necessary to …
Interdisciplinary collaborations. These collaborations are the future—they are necessary to …
Enhancing teaching effectiveness in biochemistry labs: Author reflections and improvement strategies
M Costabile, B Simpson, J Turkanovic… - Biochemistry and …, 2024 - Wiley Online Library
This article details the outcome of a joint reflective approach undertaken by the authors to
identify common difficulties experienced by 2nd‐year undergraduate Biochemistry students …
identify common difficulties experienced by 2nd‐year undergraduate Biochemistry students …
The fine art of preparing membrane transport proteins for biomolecular simulations: concepts and practical considerations
H Shiref, S Bergman, S Clivio, MA Sahai - Methods, 2021 - Elsevier
Molecular dynamics (MD) simulations have developed into an invaluable tool in bimolecular
research, due to the capability of the method in capturing molecular events and structural …
research, due to the capability of the method in capturing molecular events and structural …
Desain dan optimasi primer gen pengkode MRPA Trypanosoma evansi dan penerapan pada pembelajaran biologi molekuler
MM Nuryady, H Husamah… - … Ilmu Pendidikan: e …, 2020 - journal-center.litpam.com
Penelitian molekuler untuk menemukan gen pengkode resistensi Multidrug Resistance
Prtotein A (MRPA) T. evansi dan perbanyakan gen secara Polimeration Chain Reaction …
Prtotein A (MRPA) T. evansi dan perbanyakan gen secara Polimeration Chain Reaction …
Interactive molecular dynamics
Interactive Molecular Dynamics (IMD) is a real-time simulation technique that allows
scientists to interact with virtual molecular systems. Users can observe a simulation in …
scientists to interact with virtual molecular systems. Users can observe a simulation in …