Results 231 to 240 of about 621,380 (345)

In search of a photoswitchable drug for serotonin receptors: a molecular dynamics simulation study. [PDF]

RSC Adv
Dhaliwal AS, Verma A, Mondal P.
europepmc   +1 more source

Incorporation of surface tension into molecular dynamics simulation of an interface: a fluid phase lipid bilayer membrane

, 1995
S.-W. Chiu, M. Clark, V. Balaji, Shankar Subramaniam, H. L. Scott, Eric Jakobsson   +5 more
openalex   +1 more source

Transforming Cellulose Into Functional Three‐Dimensional Structures

Advanced Functional Materials, EarlyView.
Cellulose is promising for replacing synthetic polymers due to its excellent mechanical properties and low cost. This review highlights the recent advancements in transforming cellulose into functional 3D structures, including liquid gels and porous materials.
Xia Sun, Hao Sun, Penghui Zhu, Yonggang Wu, Anna Palmer, Feng Jiang   +5 more
wiley   +1 more source

CO₂ Capture Characteristics of Hyperbranched Poly(alkylene imine): A Molecular Dynamics Simulation Approach. [PDF]

J Phys Chem B
Chen J, Weber Nakamura GR, Jones CW, Kwon SH, Jang SS.   +4 more
europepmc   +1 more source

Molecular Dynamics Simulation of Melittin in a Dimyristoylphosphatidylcholine Bilayer Membrane

, 1998
Simon Bernèche, Mafalda Nina, Benoît Roux   +2 more
openalex   +1 more source

Fluoride‐Free Molten Salt Hydrate‐Assisted Synthesis of MXene in Air Down to 150 °C

Advanced Functional Materials, EarlyView.
A novel low‐temperature shielded salt (LSS) approach enables the synthesis of MXenes in air at temperatures as low as 150 °C using MgCl2·6H2O/LiCl. This method demonstrates successful etching of challenging MXenes like Cr2CTx and Nb2CTx through the synergistic effects of Li+ ions and salt hydrate phase changes, while eliminating the need for inert ...
Sin‐Yi Pang, Weng Fu Io, Lok‐Wing Wong, Xinyue Lao, Qianqian Bai, Kam Lin Chan, Jiong Zhao, Jianhua Hao   +7 more
wiley   +1 more source

Identification of potential VP40 inhibitor of Marburg virus through molecular docking, pharmacokinetic analysis and molecular dynamics simulation. [PDF]

Sci Rep
Das R, Bhattarai A, Tamang B, Thakur N.
europepmc   +1 more source

Differential Compartmentalization of Enzymatic Reactions for Lactate Signaling Across Protocells

Advanced Functional Materials, EarlyView.
Two populations of protocells consisting of giant unilamellar vesicles containing active species and distinct artificial organelles are competent of collective behavior by mimicking production, intercellular communication, and detection of the bioinspired signal molecule lactate. Enzymatic cascade reactions within artificial organelles demonstrate that
Arianna Balestri, Xinan Huang, Emanuel Lörtscher, Cora‐Ann Schoenenberger, Cornelia G. Palivan   +4 more
wiley   +1 more source

Structural stability of Calmodulin-target peptide complex at different temperatures based on molecular dynamics simulation. [PDF]

BMC Chem
Ding J, Ju Z, Fu T, Ding L, Yan X, Zhou B, Yu M, Ge C.   +7 more
europepmc   +1 more source

Nonlinear Resonance Artifacts in Molecular Dynamics Simulations

, 1998
Tamar Schlick, Margaret Mandziuk, Robert D. Skeel, K. Srinivas   +3 more
openalex   +1 more source