Mechanisms of ligand binding
E Di Cera - Biophysics reviews, 2020 - pubs.aip.org
Many processes in chemistry and biology involve interactions of a ligand with its molecular
target. Interest in the mechanism governing such interactions has dominated theoretical and …
target. Interest in the mechanism governing such interactions has dominated theoretical and …
[HTML][HTML] Cracking the chaperone code through the computational microscope
F Guarra, C Sciva, G Bonollo, C Pasala… - Cell Stress and …, 2024 - Elsevier
The Hsp90 chaperone machinery plays a crucial role in maintaining cellular homeostasis.
Beyond its traditional role in protein folding, Hsp90 is integral to key pathways influencing …
Beyond its traditional role in protein folding, Hsp90 is integral to key pathways influencing …
Comprehensive Approach to Simulating Large Scale Conformational Changes in Biological Systems Utilizing a Path Collective Variable and New Barrier Restraint
I Kolossváry, W Sherman - The Journal of Physical Chemistry B, 2023 - ACS Publications
Conformational sampling of complex biomolecules is an emerging frontier in drug discovery.
Advances in lab-based structural biology and related computational approaches like …
Advances in lab-based structural biology and related computational approaches like …
The role of heat shock protein 40 in carcinogenesis and biology of colorectal cancer
F Asgharzadeh, R Moradi-Marjaneh… - Current …, 2022 - benthamdirect.com
Colorectal cancer (CRC) is the third most common cancer worldwide. Despite the enormous
amount of effort in the diagnosis and treatment of CRC, the overall survival rate of patients …
amount of effort in the diagnosis and treatment of CRC, the overall survival rate of patients …
[HTML][HTML] Role of misfolding in rare enzymatic deficits and use of pharmacological chaperones as therapeutic approach
G Pampalone, S Grottelli, L Gatticchi… - Frontiers in Bioscience …, 2021 - imrpress.com
Cells have evolved sophisticated molecular control systems to maximize the efficiency of the
folding process. However, any subtle alteration of the environment or the protein can lead to …
folding process. However, any subtle alteration of the environment or the protein can lead to …
A Different Kind of Restraint Suitable for Molecular Dynamics Simulations
I Kolossváry, W Sherman - biorxiv, 2022 - biorxiv.org
Conformational sampling of complex biomolecules is an emerging frontier in drug discovery.
Indeed, advances in lab-based structural biology and related computational approaches like …
Indeed, advances in lab-based structural biology and related computational approaches like …