Results 41 to 50 of about 2,403,428 (390)

Adaptive GPU-accelerated force calculation for interactive rigid molecular docking using haptics [PDF]

, 2015
Molecular docking systems model and simulate in silico the interactions of intermolecular binding. Haptics-assisted docking enables the user to interact with the simulation via their sense of touch but a stringent time constraint on the computation of ...
Anthopoulos, Anthopoulos, Bayazit, Berman, Bivall, Bivall, Bolopion, Brooks, Brooks, Daunay, Duriez, Eisenstein, Ellis, Fang, Férey, Georgios Iakovou, Hou, Humphrey, Iakovou, Lai-Yuen, Lee, Minsky, Moitessier, Molza, Morris, Nagata, Ouhyoung, Pattabiraman, Persson, Ricci, Rizzo, Schmid, Schuttelkopf, Shimoga, Sourina, Stephen D. Laycock, Steven Hayward, Stocks, Stocks, Subasi, Subasi, van der Spoel, Weiner, Wollacott, Yuriev, Zonta   +45 more
core   +1 more source

The influence of van der Waals interactions on a bubble moving in a tube [PDF]

Phys. Rev. Fluids 2, 063601 (2017), 2016
We consider the unsteady thin-film dynamics of a long bubble of negligible viscosity that advances at a uniform speed in a cylindrical capillary tube. The bubble displaces a viscous, nonwetting fluid, creating a thin film between its interface and the tube walls. The film is considered thin enough that intermolecular forces in the form of van der Waals
arxiv   +1 more source

Intermolecular and surface forces in atomic-scale manufacturing

International Journal of Extreme Manufacturing, 2022
Atomic and close-to-atomic scale manufacturing (ACSM) aims to provide techniques for manufacturing in various fields, such as circuit manufacturing, high energy physics equipment, and medical devices and materials.
Xin Hou, Jingyang Li, Yuanzhe Li, Yuanyuan Tian   +3 more
semanticscholar   +1 more source

Force Spectroscopy with Quantitative On-Cantilever Force Control

Proceedings, 2018
In this work we propose a method for on-cantilever force control for application in force distance (F-z) spectroscopy for intermolecular interaction sensing.
Wojciech Majstrzyk, Karolina Orlowska, Andrzej Sierakowski, Rafał Dobrowolski, Teodor Gotszalk   +4 more
doaj   +1 more source

Advances in the Biological Application of Force-Induced Remnant Magnetization Spectroscopy

Molecules, 2022
Biomolecules participate in various physiological and pathological processes through intermolecular interactions generally driven by non-covalent forces. In the present review, the force-induced remnant magnetization spectroscopy (FIRMS) is described and
Shuyu Liao, Mengxue Sun, Jinxiu Zhan, Min Xu, Li Yao   +4 more
doaj   +1 more source

Analysis of the conformational profiles of fenamates shows route towards novel, higher accuracy, force-fields for pharmaceuticals [PDF]

, 2015
In traditional molecular mechanics force fields, intramolecular non-bonded interactions are modelled as intermolecular interactions, and the form of the torsion potential is based on the conformational profiles of small organic molecules.
Galek, P, Price, SL, Uzoh, OG
core   +1 more source

Automated Dielectrophoretic Tweezers-Based Force Spectroscopy System in a Microfluidic Device

Sensors, 2017
We reported an automated dielectrophoretic (DEP) tweezers-based force spectroscopy system to examine intermolecular weak binding interactions, which consists of three components: (1) interdigitated electrodes and micro-sized polystyrene particles used as
Min Hyung Kim, Jeongjick Lee, Kihwan Nam, In Soo Park, Myeonggu Son, Hyunchul Ko, Sangyoup Lee, Dae Sung Yoon, Woo-Jin Chang, Sei Young Lee, Young Ro Yoon, Sang Woo Lee   +11 more
doaj   +1 more source

Effective interaction between helical bio-molecules [PDF]

, 1999
The effective interaction between two parallel strands of helical bio-molecules, such as deoxyribose nucleic acids (DNA), is calculated using computer simulations of the "primitive" model of electrolytes.
A.A. Kornyshev, A.A. Kornyshev, A.A. Kornyshev, A.A. Kornyshev, A.A. Kornyshev, A.P. Lyubartsev, A.P. Lyubartsev, A.V. Lukashin, A.V. Lukashin, B. Jayaram, B. Jayaram, B. Jayaram, B. Jayaram, B.E. Hingerty, B.H. Zimm, B.I. Shklovskii, B.I. Shklovskii, B.J. Klein, C. Schildkraut, C.S. Murthy, D. Hochberg, D. Hochberg, D. Soumpasis, D. Stigter, D.C. Rau, D.C. Rau, D.C. Rau, D.W.R. Gruen, E. Allahyarov, E. Allahyarov, E. Allahyarov, E. Allahyarov, E.J.W. Vervey, F. Fogolari, F.E. Karasz, G. Edwards, G. Lamm, G.M. Kepler, G.R. Pack, G.R. Pack, G.S. Manning, G.S. Manning, H. Greberg, H. Löwen, H. Löwen, H. Löwen, H. Löwen, H. Löwen, H.H. Strey, I. Rouzina, J. Conrad, J. Granot, J. Lekner, J. Lekner, J. Mazur, J. P. Hansen, J. Ray, J. Skolnick, J. Skolnick, J. Widom, J.C.G. Montoro, J.J. Arenzon, J.J. Delrow, J.L. Hecht, J.M. Bailey, J.R.C. van der Maarel, K. Wagner, L. Guldbrand, L. McFail-lsom, L.G. Nilsson, M. Gueron, M. LeBret, M. LeBret, M. Troll, M. Ueda, M.A. Young, M.A. Young, M.D. Paulsen, M.K. Gilson, M.K. Gilson, M.L. Bleam, M.O. Khan, M.P. Allen, M.T. Record, M.T. Record, N. Grønbech-Jensen, N. Grønbech-Jensen, N. Grønbech-Jensen, N. Grønbech-Jensen, N.V. Hud, N.V. Hud, P. Kekicheff, P. Mariani, P. Mills, P.G. Bolhuis, P.J. Lin-Chung, R. Kjellander, R. Podgornik, R. Podgornik, R. Podgornik, R.J. Mashl, R.J. Mashl, R.P. Rand, R.W. Wilson, R.W. Wilson, S. Alexander, S. Gavryushov, S. Leikin, S. Leikin, S. Padmanabhan, T.T. Nguyen, V. Vlachy, V.A. Bloomfield, V.I. Perel, X. Shui, X. Shui, Y. Levin   +116 more
core   +2 more sources

New angles on standard force fields: towards a general approach for treating atomic-level anisotropy [PDF]

J. Chem. Theory Comput., 2018, 14 (2), pp 739--758, 2018
Nearly all standard force fields employ the 'sum-of-spheres' approximation, which models intermolecular interactions purely in terms of interatomic distances. Nonetheless, atoms in molecules can have significantly non-spherical shapes, leading to interatomic interaction energies with strong orientation dependencies.
arxiv   +1 more source

Effect of Volvariella volvacea Extract on the Intermolecular Force of Beef Myofibrillar Protein during Flavor Adsorption

Shipin gongye ke-ji, 2022
In order to explore the effect of edible mushroom on the protein flavor adsorption capacity of meat products, beef myofibrillar protein (MP) was treated with Volvariella volvacea extract (VV) and the changes of MP protein intermolecular force and flavor ...
Zhenglong QING, Xueming LIU, Daobang TANG, Yaosheng LIN, Xuping WANG, Huaigu YANG, Jinhao ZOU, Jingrong CHENG   +7 more
doaj   +1 more source