Results 221 to 230 of about 8,517,557 (393)

Role of entropy in the thermodynamic evolution of the time scale of molecular dynamics near the glass transition [PDF]

, 2015
K. Grzybowska, Andrzej Grzybowski, Sebastian Pawlus, Jürgen Pionteck, Marian Paluch   +4 more
openalex   +1 more source

Unified approach for molecular dynamics and density-functional theory.

Physical Review Letters, 1985
R. Car, M. Parrinello
semanticscholar   +1 more source

Evolutionary dynamics of the chloroplast genome in Daphne (Thymelaeaceae): comparative analysis with related genera and insights into phylogenetics

FEBS Open Bio, EarlyView.
Comparative analysis of chloroplast genomes from 14 genera of Thymelaeaceae revealed variation in gene content, ranging from 128 to 142 genes, primarily influenced by IR expansion/contraction events and pseudogenization of ndhF, ndhI, and ndhG. Two large inversions were detected within the large single‐copy region, including a synapomorphic inversion ...
Abdullah, Hui Li, Rushan Yan, Chengyu Chen, Madiha Islam, Abdul Majid, Ibrar Ahmed, Parviz Heidari, Xiaoxuan Tian   +8 more
wiley   +1 more source

multiSMD - A Python Toolset for Multidirectional Steered Molecular Dynamics. [PDF]

J Chem Inf Model
Walczewska-Szewc K, Niklas B, Szewc K, Nowak W.   +3 more
europepmc   +1 more source

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

Journal of Computational Chemistry, 2011
Naveen Michaud-Agrawal, Elizabeth J. Denning, T. Woolf, O. Beckstein   +3 more
semanticscholar   +1 more source

The photoswitchable cannabinoid azo‐HU308 enables optical control of Ca2+ dynamics in INS‐1 β‐cells via off‐target effects on TRPC channels

FEBS Open Bio, EarlyView.
Light activation of the photoswitchable cannabinoid ligand azo‐HU308 triggers Ca2+ influx in pancreatic β‐cells through TRPC channels, independent of CB2 cannabinoid receptors. This reveals a non‐GPCR pathway for cannabinoid modulation of β‐cell Ca2+ dynamics and establishes azo‐HU308 as an optical tool to study cannabinoid signaling through TRP ...
Alexander E. G. Viray, James A. Frank
wiley   +1 more source

Molecular Dynamics Study of Conformational Changes of Tankyrase 2 Binding Subsites upon Ligand Binding

ACS Omega, 2021
Yoshinori Hirano, Noriaki Okimoto, Shigeo Fujita, Makoto Taiji   +3 more
doaj   +1 more source

Molecular Dynamics Insights into TAS1R2 Transmembrane Domain Activation. [PDF]

Int J Mol Sci
Lu Y, Ma X, Meng Z, Cui M.
europepmc   +1 more source

Navigating new norms: a systematic review of factors for the development of effective digital tools in higher education

FEBS Open Bio, EarlyView.
What factors make for an effective digital learning tool in Higher Education? This systematic review identifies elements of a digital tool that published examples reveal to be features of an engaging and impactful digital tool. A systematic literature search yielded 25 research papers for analysis.
Akmal Arzeman, Jessica Haines, Connie Pritchard, Stephen Rutherford, Nigel Francis   +4 more
wiley   +1 more source

GPU-Accelerated Implementation of Constant-pH Molecular Dynamics in NAMD. [PDF]

J Chem Inf Model
Moe S, Chipot C, Roux B.
europepmc   +1 more source