Journal of Molecular Graphics and Modelling This is an RSS file. You can use it to subscribe to this data in your favourite RSS reader or to display this data on your own website or blog.

In Silico Approach for Identifying Natural Lead Molecules Against SARS-COV-2
Publication date: Available online 13 April 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Shiv Shankar Gupta, Ashwani Kumar, Ravi Shankar, Upendra Sharma (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - April 15, 2021 Category: Molecular Biology Source Type: research

Fibril fragments from the amyloid core of lysozyme: an accelerated molecular dynamics study
Publication date: Available online 12 April 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Elena A. Ermakova, Olga N. Makshakova, Yuriy F. Zuev, Igor A. Sedov (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - April 13, 2021 Category: Molecular Biology Source Type: research

Effect of Molecular Properties of the Protein-Ligand Complex on the Prediction Accuracy of AutoDock
Publication date: Available online 13 April 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Dinesh Kumar Sriramulu, Sun-Gu Lee (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - April 13, 2021 Category: Molecular Biology Source Type: research

Interaction of epoxy-based hydrogels and water: A molecular dynamics simulation study
Publication date: July 2021Source: Journal of Molecular Graphics and Modelling, Volume 106Author(s): Juganta K. Roy, Henry P. Pinto, Jerzy Leszczynski (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - April 13, 2021 Category: Molecular Biology Source Type: research

Computational Investigation of FDA Approved Drugs as Selective PARP-1 Inhibitors by Targeting BRCT domain for Cancer Therapy
Publication date: Available online 6 April 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Chandan Kumar, P.T.V. Lakshmi, Annamalai Arunachalam (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - April 8, 2021 Category: Molecular Biology Source Type: research

Tuning the optoelectronic properties of oligothienyl silane derivatives and their photovoltaic properties
Publication date: Available online 6 April 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Rubab Sikandar, Afifa Farhat, Rasheed Ahmad Khera, Sobia Jabeen, Ali Raza Ayub, Peter Langer, Javed Iqbal (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - April 8, 2021 Category: Molecular Biology Source Type: research

Interaction of Epoxy-based Hydrogels and Water: A MD Simulation Study
Publication date: Available online 5 April 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Juganta K. Roy, Henry P. Pinto, Jerzy Leszczynski (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - April 6, 2021 Category: Molecular Biology Source Type: research

Strong intramolecular hydrogen bonding in confined amino acids
Publication date: Available online 5 April 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): M. Shahamirian, S.M. Azami (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - April 6, 2021 Category: Molecular Biology Source Type: research

Structural insights from an in silico molecular docking simulation of complement component 3a receptor 1 with an antagonist
Publication date: Available online 5 April 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Kensuke Misawa, Yoshiya Sugai, Taketoshi Fujimori, Takatsugu Hirokawa (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - April 5, 2021 Category: Molecular Biology Source Type: research

Grand Canonical Monte Carlo Simulations of Methane Adsorption in Fullerene Pillared Graphene Nanocomposites
Publication date: Available online 1 April 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Cengiz Baykasoglu, Humeyra Mert, Celal Utku Deniz (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - April 2, 2021 Category: Molecular Biology Source Type: research

Solvation of Potassium Cation in Helium Clusters: Density Functional Theory versus Pairwise Method
Publication date: Available online 30 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Maha Laajimi, Houcine Ghalla, Safa Mtiri (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - April 1, 2021 Category: Molecular Biology Source Type: research

Separation of C1/C3 binary organic gas mixtures via flexible nanoporous carbon molecular sieves: DFT calculations and MD simulations
Publication date: Available online 30 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Feng Miao, Hao Jiang, Xin-Lu Cheng (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 30, 2021 Category: Molecular Biology Source Type: research

Molecular dynamics simulations of choline chloride and phenyl propionic acid deep eutectic solvents: Investigation of structural and dynamics properties
Publication date: Available online 29 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Parisa Jahanbakhsh Bonab, Mehdi D. Esrafili, Alireza Rastkar Ebrahimzadeh, Jaber Jahanbin Sardroodi (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 29, 2021 Category: Molecular Biology Source Type: research

Unprecedented saturation limit achieved by inorganic polycationic cluster (Sb7Te8)5+ for light noble gases (He & Ne)
Publication date: Available online 27 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Maryum Munir, Muhammad Yar, Faiza Ahsan, Khurshid Ayub (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 27, 2021 Category: Molecular Biology Source Type: research

Unveiling structural, electronic properties and chemical bonding of (VH2)n (n=10–30) nanoclusters: DFT investigation
Publication date: Available online 24 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Na Lv, Xiangyu Guo, Lihong Zhang, Irfan Ali Soomro, Shiping Huang (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 26, 2021 Category: Molecular Biology Source Type: research