受强制性开放获取政策约束的文章 - Jigneshkumar Dahyabhai Prajapati了解详情
无法在其他位置公开访问的文章：8 篇
Exploration of free energy surfaces across a membrane channel using metadynamics and umbrella sampling
VK Golla, JD Prajapati, M Joshi, U Kleinekathöfer
Journal of Chemical Theory and Computation 16 (4), 2751-2765, 2020
强制性开放获取政策： German Research Foundation
Environmental effects on the dynamics in the light-harvesting complexes LH2 and LH3 based on molecular simulations
MI Mallus, Y Shakya, JD Prajapati, U Kleinekathöfer
Chemical Physics 515, 141-151, 2018
强制性开放获取政策： German Research Foundation
Computational modeling of ion transport in bulk and through a nanopore using the drude polarizable force field
JD Prajapati, C Mele, MA Aksoyoglu, M Winterhalter, U Kleinekathöfer
Journal of Chemical Information and Modeling 60 (6), 3188-3203, 2020
强制性开放获取政策： German Research Foundation
Improved sampling and free energy estimates for antibiotic permeation through bacterial porins
A Acharya, JD Prajapati, U Kleinekathöfer
Journal of Chemical Theory and Computation 17 (7), 4564-4577, 2021
强制性开放获取政策： German Research Foundation
Conformational dynamics of loop L3 in OmpF: implications toward antibiotic translocation and voltage gating
A Acharya, I Ghai, C Piselli, JD Prajapati, R Benz, M Winterhalter, ...
Journal of Chemical Information and Modeling 63 (3), 910-927, 2022
强制性开放获取政策： German Research Foundation
Atomistic simulation of molecules interacting with biological nanopores: from current understanding to future directions
A Acharya, JD Prajapati, U Kleinekathöfer
The Journal of Physical Chemistry B 126 (22), 3995-4008, 2022
强制性开放获取政策： German Research Foundation
Millisecond-long simulations of antibiotics transport through outer membrane channels
VK Golla, JD Prajapati, U Kleinekathöfer
Journal of Chemical Theory and Computation 17 (1), 549-559, 2020
强制性开放获取政策： German Research Foundation
Voltage-dependent transport of neutral solutes through nanopores: a molecular view
JD Prajapati, U Kleinekathöfer
The Journal of Physical Chemistry B 124 (47), 10718-10731, 2020
强制性开放获取政策： German Research Foundation
可在其他位置公开访问的文章：13 篇
How to enter a bacterium: bacterial porins and the permeation of antibiotics
JD Prajapati, U Kleinekathöfer, M Winterhalter
Chemical reviews 121 (9), 5158-5192, 2021
强制性开放获取政策： German Research Foundation, Federal Ministry of Education and Research, Germany
Atomistic modeling of two-dimensional electronic spectra and excited-state dynamics for a light harvesting 2 complex
CP Van Der Vegte, JD Prajapati, U Kleinekathöfer, J Knoester, ...
The Journal of Physical Chemistry B 119 (4), 1302-1313, 2015
强制性开放获取政策： German Research Foundation
DFTB/MM molecular dynamics simulations of the FMO light-harvesting complex
S Maity, BM Bold, JD Prajapati, M Sokolov, T Kubař, M Elstner, ...
The Journal of Physical Chemistry Letters 11 (20), 8660-8667, 2020
强制性开放获取政策： German Research Foundation
Identification of single amino acid chiral and positional isomers using an electrostatically asymmetric nanopore
J Wang, JD Prajapati, F Gao, YL Ying, U Kleinekathöfer, M Winterhalter, ...
Journal of the American Chemical Society 144 (33), 15072-15078, 2022
强制性开放获取政策： 国家自然科学基金委员会
Dynamic interaction of fluoroquinolones with magnesium ions monitored using bacterial outer membrane nanopores
J Wang, JD Prajapati, U Kleinekathoefer, M Winterhalter
Chemical Science 11 (38), 10344-10353, 2020
强制性开放获取政策： 国家自然科学基金委员会, German Research Foundation
Molecular interactions of cephalosporins with the deep binding pocket of the RND transporter AcrB
A Atzori, G Malloci, JD Prajapati, A Basciu, A Bosin, U Kleinekathöfer, ...
The Journal of Physical Chemistry B 123 (22), 4625-4635, 2019
强制性开放获取政策： US National Institutes of Health
The BROMOCEA Code: An Improved Grand Canonical Monte Carlo/Brownian Dynamics Algorithm Including Explicit Atoms
CJF Solano
Biophysical Journal 110 (3), 328a, 2016
强制性开放获取政策： Natural Sciences and Engineering Research Council of Canada
Large‐Peptide Permeation Through a Membrane Channel: Understanding Protamine Translocation Through CymA from Klebsiella Oxytoca**
S Pangeni, JD Prajapati, J Bafna, M Nilam, WM Nau, U Kleinekathöfer, ...
Angewandte Chemie International Edition 60 (15), 8089-8094, 2021
强制性开放获取政策： German Research Foundation, Federal Ministry of Education and Research, Germany
Changes in salt concentration modify the translocation of neutral molecules through a ΔCymA nanopore in a non-monotonic manner
JD Prajapati, S Pangeni, MA Aksoyoglu, M Winterhalter, ...
ACS nano 16 (5), 7701-7712, 2022
强制性开放获取政策： German Research Foundation
Exploring the energy landscape of riboswitches using collective variables based on tertiary contacts
JD Prajapati, JN Onuchic, KY Sanbonmatsu
Journal of molecular biology 434 (18), 167788, 2022
强制性开放获取政策： US Department of Energy, US National Institutes of Health
Permeation eines 5.1‐kDa‐Peptides durch einen Proteinkanal: Molekulare Basis der Translokation von Protamin durch CymA aus Klebsiella Oxytoca
S Pangeni, JD Prajapati, J Bafna, M Nilam, WM Nau, U Kleinekathöfer, ...
Angewandte Chemie 133 (15), 8170-8175, 2021
强制性开放获取政策： German Research Foundation, Federal Ministry of Education and Research, Germany
Dynamic Interaction of Norfloxacin to Magnesium Monitored by Bacterial Outer Membrane Nanopores
J Wang, JD Prajapati, U Kleinekathöfer, M Winterhalter
强制性开放获取政策： 国家自然科学基金委员会, German Research Foundation
出版信息和资助信息由计算机程序自动确定