Journal of Molecular Graphics and Modelling

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Mutational analysis of microbial hydroxycinnamoyl-CoA hydratase-lyase (HCHL) towards enhancement of binding affinity: A computational approach
Journal of Molecular Graphics and Modelling - Tập 77 - Trang 94-105 - 2017
Pravin Kumar, Shashwati Ghosh Sachan, Raju Poddar
Performance comparison of wavelet neural network and adaptive neuro-fuzzy inference system with small data sets
Journal of Molecular Graphics and Modelling - Tập 100 - Trang 107698 - 2020
Reza Tabaraki, Mina Khodabakhshi
A Further Implementation of the Rotational Symmetry Boundary Conditions for Calculations of P43212 Symmetry Crystals
Journal of Molecular Graphics and Modelling - Tập 15 - Trang 233-237 - 1997
Shigetaka Yoneda
Controlled supramolecular interactions for targeted release of Amiodarone drug through Graphyne to treat cardiovascular diseases: An in silico study
Journal of Molecular Graphics and Modelling - Tập 121 - Trang 108452 - 2023
Mehvish Perveen, N.M.A. Hadia, Asima Noreen, Rana Farhat Mehmood, Samia nasr, I.S. Yahia, Rasheed Ahmad Khera, Javed Iqbal
Rational approach to identify newer caspase-1 inhibitors using pharmacophore based virtual screening, docking and molecular dynamic simulation studies
Journal of Molecular Graphics and Modelling - Tập 81 - Trang 106-115 - 2018
Shivani Patel, Palmi Modi, Mahesh Chhabria
A molecular electron density theory study on the [3+2] cycloaddition reaction of 5,5-dimethyl-1-pyrroline N-oxide with 2-cyclopentenone
Journal of Molecular Graphics and Modelling - Tập 92 - Trang 256-266 - 2019
Mousa Soleymani, Zeinab Kazemi Chegeni
Exploring the peri- and stereo- selectivities of the cycloaddition reaction of 2-(2- dimethylaminovinyl)-1-benzopyran-4-one with N-phenylmaleimide (NPM) and dimethylacetylenedicarboxylate (DMAD) - A DFT study
Journal of Molecular Graphics and Modelling - Tập 121 - Trang 108451 - 2023
Richmond Arhin, Isaac Ofori, Anthony Fosu, Richard Tia, Evans Adei, Albert Aniagyei
Assessing the reliability of a QSAR model's predictions
Journal of Molecular Graphics and Modelling - Tập 23 Số 6 - Trang 503-523 - 2005
Linnan He, Peter C. Jurs
Ab initio molecular simulations for proposing potent inhibitors to butyrylcholinesterases
Journal of Molecular Graphics and Modelling - Tập 54 - Trang 54-61 - 2014
Takeru Murakawa, Yuki Matsushita, Tomoya Suzuki, Mahmud Tareq Hassan Khan, Noriyuki Kurita
Quantum polarized ligand docking investigation to understand the significance of protonation states in histone deacetylase inhibitors
Journal of Molecular Graphics and Modelling - Tập 44 - Trang 44-53 - 2013
Subha Kalyaanamoorthy, Yi-Ping Phoebe Chen
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