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
In silico identification of novel PrfA inhibitors to fight listeriosis: A virtual screening and molecular dynamics studies
Journal of Molecular Graphics and Modelling - Tập 101 - Trang 107728 - 2020
Bilal Nizami, Wen Tan, Xabier Arias-Moreno
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
Tổng số: 1,566   
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