受强制性开放获取政策约束的文章 - Michael L Klein了解详情
无法在其他位置公开访问的文章：11 篇
Supramolecular polymerization of benzene-1, 3, 5-tricarboxamide: a molecular dynamics simulation study
KK Bejagam, G Fiorin, ML Klein, S Balasubramanian
The Journal of Physical Chemistry B 118 (19), 5218-5228, 2014
强制性开放获取政策： Council of Scientific and Industrial Research, India
Evaluation of electronic coupling in transition-metal systems using DFT: Application to the hexa-aquo ferric− ferrous redox couple
A Migliore, PHL Sit, ML Klein
Journal of Chemical Theory and Computation 5 (2), 307-323, 2009
强制性开放获取政策： US National Institutes of Health
Parameterization of azole‐bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure
K Spiegel, A Magistrato, P Maurer, P Ruggerone, U Rothlisberger, ...
Journal of computational chemistry 29 (1), 38-49, 2008
强制性开放获取政策： Swiss National Science Foundation
Unraveling the catalytic pathway of metalloenzyme farnesyltransferase through QM/MM computation
MH Ho, MD Vivo, MD Peraro, ML Klein
Journal of chemical theory and computation 5 (6), 1657-1666, 2009
强制性开放获取政策： US National Institutes of Health
Flavonoids from Perovskia atriplicifolia and Their in Vitro Displacement of the Respective Radioligands for Human Opioid and Cannabinoid Receptors
A Tarawneh, F León, S Pettaway, KM Elokely, ML Klein, J Lambert, ...
Journal of natural products 78 (6), 1461-1465, 2015
强制性开放获取政策： US National Institutes of Health
Quantum Mechanical and Quantum Mechanical/Molecular Mechanical Studies of the Iron− Dioxygen Intermediates and Proton Transfer in Superoxide Reductase
PHL Sit, A Migliore, MH Ho, ML Klein
Journal of Chemical Theory and Computation 6 (9), 2896-2909, 2010
强制性开放获取政策： US National Institutes of Health
Discovery of novel small-molecule inhibitors of SARS-CoV-2 main protease as potential leads for COVID-19 treatment
A Manandhar, V Srinivasulu, M Hamad, H Tarazi, H Omar, DJ Colussi, ...
Journal of Chemical Information and Modeling 61 (9), 4745-4757, 2021
强制性开放获取政策： US National Science Foundation, US Department of Defense
Probing the dynamics of N-methylacetamide in methanol via ab initio molecular dynamics
VK Yadav, ML Klein
Physical Chemistry Chemical Physics 19 (20), 12868-12875, 2017
强制性开放获取政策： US National Science Foundation, US National Institutes of Health
Chain-end modification: A starting point for controlling polymer crystal nucleation
KW Hall, S Percec, W Shinoda, ML Klein
Macromolecules 54 (4), 1599-1610, 2021
强制性开放获取政策： US National Science Foundation, US Department of Defense
Frontiers of macromolecular and supramolecular science symposia
ML Klein, V Percec
Polymer Chemistry 9 (18), 2355-2358, 2018
强制性开放获取政策： US National Science Foundation
Glycan-Driven Formation of Raft-Like Domains with Hierarchical Periodic Nanoarrays on Dendrimersome Synthetic Cells
AM Wagner, NY Kostina, Q Xiao, ML Klein, V Percec, ...
Biomacromolecules 25 (1), 366-378, 2023
强制性开放获取政策： European Commission
可在其他位置公开访问的文章：186 篇
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
J Sun, RC Remsing, Y Zhang, Z Sun, A Ruzsinszky, H Peng, Z Yang, ...
Nature chemistry 8 (9), 831-836, 2016
强制性开放获取政策： US National Science Foundation, US Department of Energy
De novo design of antimicrobial polymers, foldamers, and small molecules: from discovery to practical applications
GN Tew, RW Scott, ML Klein, WF DeGrado
Accounts of chemical research 43 (1), 30-39, 2010
强制性开放获取政策： US National Institutes of Health
Large-scale molecular dynamics simulations of self-assembling systems
ML Klein, W Shinoda
science 321 (5890), 798-800, 2008
强制性开放获取政策： US National Institutes of Health
Exploring multidimensional free energy landscapes using time-dependent biases on collective variables
J Henin, G Fiorin, C Chipot, ML Klein
Journal of chemical theory and computation 6 (1), 35-47, 2010
强制性开放获取政策： US National Institutes of Health
Ab initio theory and modeling of water
M Chen, HY Ko, RC Remsing, MF Calegari Andrade, B Santra, Z Sun, ...
Proceedings of the National Academy of Sciences 114 (41), 10846-10851, 2017
强制性开放获取政策： US National Science Foundation, US Department of Energy
Zwitterionic lipid assemblies: molecular dynamics studies of monolayers, bilayers, and vesicles using a new coarse grain force field
W Shinoda, R DeVane, ML Klein
The Journal of Physical Chemistry B 114 (20), 6836-6849, 2010
强制性开放获取政策： US National Institutes of Health
Structure and mechanism of proton transport through the transmembrane tetrameric M2 protein bundle of the influenza A virus
R Acharya, V Carnevale, G Fiorin, BG Levine, AL Polishchuk, V Balannik, ...
Proceedings of the National Academy of Sciences 107 (34), 15075-15080, 2010
强制性开放获取政策： US National Institutes of Health, Howard Hughes Medical Institute
Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus
J Wang, Y Wu, C Ma, G Fiorin, J Wang, LH Pinto, RA Lamb, ML Klein, ...
Proceedings of the National Academy of Sciences 110 (4), 1315-1320, 2013
强制性开放获取政策： US National Institutes of Health, Howard Hughes Medical Institute
Membrane protein structure, function, and dynamics: a perspective from experiments and theory
Z Cournia, TW Allen, I Andricioaei, B Antonny, D Baum, G Brannigan, ...
The Journal of membrane biology 248, 611-640, 2015
强制性开放获取政策： US Department of Energy, US National Institutes of Health, European …
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