Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity

DJ Huggins, PC Biggin, MA Dämgen… - … : Computational …, 2019 - Wiley Online Library
… and their many applications to biomolecular systems is … of DNA are different at the base
pair level compared to the bulk… Experimental and computational studies have traditionally …

[图书][B] Computer simulation of biomolecular systems: theoretical and experimental applications

WF van Gunsteren, PK Weiner, AJ Wilkinson - 2013 - books.google.com
… Corresponding studies of mesoscopic systems have been … ; that is, comparisons with
experimental data can serve to test … of chapters devoted to various computational approaches to …

[HTML][HTML] Computational and experimental approaches for investigating nanoparticle-based drug delivery systems

M Ramezanpour, SSW Leung… - … et Biophysica Acta (BBA …, 2016 - Elsevier
experimental techniques for the study of DDSs. Then we review computational studies for
several … This dissociation can be mediated by interactions with endogeneous biomolecules (12)…

COMPUTATIONAL MODELLING OF BIOMOLECULAR SYSTEMS: APPLICATIONS TO THE STUDY OF MOLECULAR RECOGNITION PROCESSES

F Doro - 2014 - air.unimi.it
… perform the experiment could not be obtained, computational modelling studies can provide
… of quantities which can be compared directly with experimental results (a fundamental step …

[图书][B] Computational biochemistry and biophysics

OM Becker, AD MacKerell, B Roux, M Watanabe - 2001 - api.taylorfrancis.com
… our understanding of complex biomolecular systems such as … function is an area where
computational studies can extend our … computational studies for the interpretation of experimental

[图书][B] Computational studies of biomembrane systems: theoretical considerations, simulation models, and applications

M Deserno, K Kremer, H Paulsen, C Peter, F Schmid - 2014 - Springer
… intense investigation for a long time. In the present review we address how approaches
combining theory, simulation, and experimentcomparison with atomic level experimental data. …

Biomolecular simulation: a computational microscope for molecular biology

RO Dror, RM Dirks, JP Grossman, H Xu… - Annual review of …, 2012 - annualreviews.org
… In both studies, the authors computed the difference in the … Many computational (43) and
experimental methods directly … microscope, revealing the workings of biomolecular systems

Computational studies of the photophysics of hydrogen-bonded molecular systems

AL Sobolewski, W Domcke - The Journal of Physical Chemistry A, 2007 - ACS Publications
… been investigated for decades with powerful experimental methods, … The comparison of
Figure 3a,b reveals that the 1 πσ*-driven … photochemical processes in biomolecular systems, eg, …

Studies of biomolecular conformations and conformational dynamics by mass spectrometry

IA Kaltashov, SJ Eyles - Mass spectrometry reviews, 2002 - Wiley Online Library
experimental technique is that most measurements, if not all, have been based solely on
monitoring charge-state distributions of positive ions. Konermann and Douglas have compared

Silica surface features and their role in the adsorption of biomolecules: computational modeling and experiments

A Rimola, D Costa, M Sodupe, JF Lambert… - Chemical …, 2013 - ACS Publications
… between silica, either crystalline or amorphous, and biomolecules, restricting our attention
to studies reporting a joint use of experiment and modeling techniques. We have also decided …