Perspective: Coarse-grained models for biomolecular systems
WG Noid - The Journal of chemical physics, 2013 - pubs.aip.org
By focusing on essential features, while averaging over less important details, coarse-
grained (CG) models provide significant computational and conceptual advantages with …
grained (CG) models provide significant computational and conceptual advantages with …
Normal mode analysis of biomolecular structures: functional mechanisms of membrane proteins
A polymer chain of N atoms enjoys 3N-6 internal degrees of freedom, which gives rise to
infinitely many conformations. Even a simple model of N) 100 atoms where bond lengths …
infinitely many conformations. Even a simple model of N) 100 atoms where bond lengths …
Biomimetic hydrogel‐based actuating systems
L Ionov - Advanced Functional Materials, 2013 - Wiley Online Library
Active motion is intrinsic to all kinds of living organisms from unicellular ones to humans and
inspires development of synthetic actively moving materials. Hydrogels, which are three …
inspires development of synthetic actively moving materials. Hydrogels, which are three …
Combining an elastic network with a coarse-grained molecular force field: structure, dynamics, and intermolecular recognition
X Periole, M Cavalli, SJ Marrink… - Journal of chemical …, 2009 - ACS Publications
Structure-based and physics-based coarse-grained molecular force fields have become
attractive approaches to gain mechanistic insight into the function of large biomolecular …
attractive approaches to gain mechanistic insight into the function of large biomolecular …
Designing of a multi-epitope vaccine against the structural proteins of marburg virus exploiting the immunoinformatics approach
Marburg virus disease (MVD) caused by the Marburg virus (MARV) generally appears with
flu-like symptoms and leads to severe hemorrhagic fever. It spreads via direct contact with …
flu-like symptoms and leads to severe hemorrhagic fever. It spreads via direct contact with …
Global dynamics of proteins: bridging between structure and function
Biomolecular systems possess unique, structure-encoded dynamic properties that underlie
their biological functions. Recent studies indicate that these dynamic properties are …
their biological functions. Recent studies indicate that these dynamic properties are …
[图书][B] Coarse-graining of condensed phase and biomolecular systems
GA Voth - 2008 - taylorfrancis.com
Exploring recent developments in the field, Coarse-Graining of Condensed Phase and
Biomolecular Systems examines systematic ways of constructing coarse-grained …
Biomolecular Systems examines systematic ways of constructing coarse-grained …
A molecular modelling approach for identifying antiviral selenium-containing heterocyclic compounds that inhibit the main protease of SARS-CoV-2: an in silico …
Abstract Coronavirus disease 2019 (COVID-19), an infectious disease caused by the severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has been declared a global …
acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has been declared a global …
iMod: multipurpose normal mode analysis in internal coordinates
Motivation: Dynamic simulations of systems with biologically relevant sizes and time scales
are critical for understanding macromolecular functioning. Coarse-grained representations …
are critical for understanding macromolecular functioning. Coarse-grained representations …
Stochastic mechano-chemical kinetics of molecular motors: a multidisciplinary enterprise from a physicist's perspective
D Chowdhury - Physics Reports, 2013 - Elsevier
A molecular motor is made of either a single macromolecule or a macromolecular complex.
Just like their macroscopic counterparts, molecular motors “transduce” input energy into …
Just like their macroscopic counterparts, molecular motors “transduce” input energy into …