[HTML][HTML] The chemistry of snake venom and its medicinal potential
AL Oliveira, MF Viegas, SL da Silva… - Nature Reviews …, 2022 - nature.com
The fascination and fear of snakes dates back to time immemorial, with the first scientific
treatise on snakebite envenoming, the Brooklyn Medical Papyrus, dating from ancient Egypt …
treatise on snakebite envenoming, the Brooklyn Medical Papyrus, dating from ancient Egypt …
Macromolecular modeling and design in Rosetta: recent methods and frameworks
The Rosetta software for macromolecular modeling, docking and design is extensively used
in laboratories worldwide. During two decades of development by a community of …
in laboratories worldwide. During two decades of development by a community of …
Antigen-specific antibody design and optimization with diffusion-based generative models for protein structures
Antibodies are immune system proteins that protect the host by binding to specific antigens
such as viruses and bacteria. The binding between antibodies and antigens is mainly …
such as viruses and bacteria. The binding between antibodies and antigens is mainly …
Deep-learning-enabled protein–protein interaction analysis for prediction of SARS-CoV-2 infectivity and variant evolution
G Wang, X Liu, K Wang, Y Gao, G Li… - Nature Medicine, 2023 - nature.com
Host–pathogen interactions and pathogen evolution are underpinned by protein–protein
interactions between viral and host proteins. An understanding of how viral variants affect …
interactions between viral and host proteins. An understanding of how viral variants affect …
ChAdOx1 interacts with CAR and PF4 with implications for thrombosis with thrombocytopenia syndrome
Vaccines derived from chimpanzee adenovirus Y25 (ChAdOx1), human adenovirus type 26
(HAdV-D26), and human adenovirus type 5 (HAdV-C5) are critical in combatting the severe …
(HAdV-D26), and human adenovirus type 5 (HAdV-C5) are critical in combatting the severe …
Distinct genetic pathways define pre-malignant versus compensatory clonal hematopoiesis in Shwachman-Diamond syndrome
To understand the mechanisms that mediate germline genetic leukemia predisposition, we
studied the inherited ribosomopathy Shwachman-Diamond syndrome (SDS), a bone …
studied the inherited ribosomopathy Shwachman-Diamond syndrome (SDS), a bone …
SKEMPI 2.0: an updated benchmark of changes in protein–protein binding energy, kinetics and thermodynamics upon mutation
J Jankauskaitė, B Jiménez-García, J Dapkūnas… - …, 2019 - academic.oup.com
Motivation Understanding the relationship between the sequence, structure, binding energy,
binding kinetics and binding thermodynamics of protein–protein interactions is crucial to …
binding kinetics and binding thermodynamics of protein–protein interactions is crucial to …
Advances in molecular dynamics simulations and enhanced sampling methods for the study of protein systems
Molecular dynamics (MD) simulation is a rigorous theoretical tool that when used efficiently
could provide reliable answers to questions pertaining to the structure-function relationship …
could provide reliable answers to questions pertaining to the structure-function relationship …
Machine-directed evolution of an imine reductase for activity and stereoselectivity
Biocatalysis is an effective tool to access chiral molecules that are otherwise hard to
synthesize or purify. Time-efficient processes are needed to develop enzymes that …
synthesize or purify. Time-efficient processes are needed to develop enzymes that …
Theory-guided machine learning finds geometric structure-property relationships for chemisorption on subsurface alloys
Developing physically transparent and quantitatively accurate models that relate the
chemical interaction (chemisorption strength) between an adsorbate and a solid surface to …
chemical interaction (chemisorption strength) between an adsorbate and a solid surface to …