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Electrostatics

In-silico Investigations of quinine and quinidine as potential Inhibitors of AKR1B1 and AKR1B10: Functional and structural characterization

Syeda Abida Ejaz, Amna Saeed, [ ... ], Z. A. Alrowaili

New compounds from heterocyclic amines scaffold with multitarget inhibitory activity on Aβ aggregation, AChE, and BACE1 in the Alzheimer disease

Iohanan Daniel García Marín, Raúl Horacio Camarillo López, [ ... ], Martha Cecilia Rosales-Hernández

Molecular dynamics simulations reveal the selectivity mechanism of structurally similar agonists to TLR7 and TLR8

Xiaoyu Wang, Yu Chen, Steven Zhang, Jinxia Nancy Deng

Protein-protein interactions enhance the thermal resilience of SpyRing-cyclized enzymes: A molecular dynamic simulation study

Qi Gao, Dengming Ming

Effectiveness of various cleaning strategies in acute and long-term care facilities during novel corona virus 2019 disease pandemic-related staff shortages

Emil Lesho, Donna Newhart, [ ... ], Robert Mayo

Effects of ionic strength on gating and permeation of TREK-2 K2P channels

Linus J. Conrad, Peter Proks, Stephen J. Tucker

Evaluation of electrostatic sprayers and foggers for the application of disinfectants in the era of SARS-CoV-2

Joseph P. Wood, Matthew Magnuson, [ ... ], David Hook

Identifying key determinants and dynamics of SARS-CoV-2/ACE2 tight interaction

Van A. Ngo, Ramesh K. Jha

Can sterilization of disposable face masks be an alternative for imported face masks? A nationwide field study including 19 sterilization departments and 471 imported brand types during COVID-19 shortages

B. van Straten, P. D. Robertson, [ ... ], T. Horeman

Controlling the surface charge of simple viruses

A. L. Duran-Meza, M. V. Villagrana-Escareño, [ ... ], W. M. Gelbart

Prediction of HIV drug resistance based on the 3D protein structure: Proposal of molecular field mapping

Ryosaku Ota, Kanako So, [ ... ], Fumiyoshi Yamashita

Rheological modification of partially oxidised cellulose nanofibril gels with inorganic clays

Saffron J. Bryant, Vincenzo Calabrese, [ ... ], Karen J. Edler

Migration of ions near charged surface

Kiwoong Kim

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