Multiple Dimerizing Motifs at Different Locations Modulate the Dimerization of the Syndecan Transmembrane Domains
Publication date: Available online 11 May 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Jialin Chen, Fengli Wang, Chengzhi He, Shi-Zhong Luo (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - May 12, 2021 Category: Molecular Biology Source Type: research

Cantilever-centric mechanism of cooperative non-active site mutations in HIV protease: implications for flap dynamics
Publication date: Available online 10 May 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Dean Sherry, Roland Worth, Yasien Sayed (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - May 12, 2021 Category: Molecular Biology Source Type: research

Deciphering the Molecular Basis of the Kappa Opioid Receptor Selectivity: A Molecular Dynamics Study
Publication date: Available online 10 May 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Amr Hamdy, Ahmad Abdelwaly, Khaled Darwish, Amal A.H.M. Eissa, Amar Chittiboyina, Mohamed Helal (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - May 12, 2021 Category: Molecular Biology Source Type: research

Theoretical investigation of the atmospheric implication for the reaction of •OH radical with CF2C(CH3)-CX3, X = H, F
Publication date: July 2021Source: Journal of Molecular Graphics and Modelling, Volume 106Author(s): Olivier Holtomo, Hubert Ngue'zeo, Mama Nsangou, Ousmanou Motapon (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - May 12, 2021 Category: Molecular Biology Source Type: research

Oxacarbon superalkali C3X3Y3 (X = O, S and Y = Li, Na, K) clusters as excess electron compounds for remarkable static and dynamic NLO response
Publication date: July 2021Source: Journal of Molecular Graphics and Modelling, Volume 106Author(s): Atazaz Ahsin, Khurshid Ayub (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - May 12, 2021 Category: Molecular Biology Source Type: research

Adsorption study of lac dyes with chitosan coated on silk fibroin using molecular dynamics simulations
Publication date: Available online 10 May 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Aunlika Chimprasit, Supa Hannongbua, Patchreenart Saparpakorn (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - May 10, 2021 Category: Molecular Biology Source Type: research

Influence of Interface Structure in Redox and Optical properties of Thio and Seleno-Ureidopeptide Functionalized Bimetallic Gold Nanocluster: DFT Study
Publication date: Available online 6 May 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Divya Maldepalli Govindachar, Ganga Periyasamy (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - May 7, 2021 Category: Molecular Biology Source Type: research

Assessment of the effect of external and internal triggers on adsorption and release of paclitaxel from the PEI functionalized Silicene nanosheet: a molecular dynamic simulation
Publication date: Available online 6 May 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Leila Razavi, Heidar Raissi, Farzaneh Farzad (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - May 7, 2021 Category: Molecular Biology Source Type: research

Inorganic electrides of alkali metal doped Zn12O12 nanocage with excellent nonlinear optical response
Publication date: Available online 5 May 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Saima Khan, Mazhar Amjad Gilani, Sajida Munsif, Shabbir Muhammad, Ralf Ludwig, Khurshid Ayub (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - May 5, 2021 Category: Molecular Biology Source Type: research

Rational design, chemical synthesis and cellular evaluation of novel 1,3-diynyl derivatives of noscapine as potent tubulin binding anticancer agents
Publication date: Available online 5 May 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Amiya Kumar Patel, Rajesh Kumar Meher, Praveen Kumar Reddy, Ravi Kumar Pedapati, Pratyush Pragyandipta, Srinivas Kantevari, Manas Kumar Naik, Pradeep K. Naik (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - May 5, 2021 Category: Molecular Biology Source Type: research

Tetrazoles as PPARγ ligands: A structural and computational investigation
Publication date: July 2021Source: Journal of Molecular Graphics and Modelling, Volume 106Author(s): Karina de Paula, Jademilson C. Santos, Ana Carolina Mafud, Alessandro S. Nascimento (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - May 3, 2021 Category: Molecular Biology Source Type: research

Tetrazoles as PPARγ ligands: A Structural and Computational Investigation.
Publication date: Available online 26 April 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Karina de Paula, Jademilson C. Santos, Ana Carolina Mafud, Alessandro S. Nascimento (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - April 27, 2021 Category: Molecular Biology Source Type: research

Editorial Board
Publication date: June 2021Source: Journal of Molecular Graphics and Modelling, Volume 105Author(s): (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - April 24, 2021 Category: Molecular Biology Source Type: research

Modelling studies reveal the importance of the C-terminal inter motif loop of NSP1 as a promising target site for drug discovery and screening of potential phytochemicals to combat SARS-CoV-2
Publication date: Available online 19 April 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Dhamodharan Prabhu, Sundaraj Rajamanikandan, Muthusamy Sureshan, Jeyaraman Jeyakanthan, Kadhirvel Saraboji (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - April 20, 2021 Category: Molecular Biology Source Type: research

Oxacarbon superalkali C3X3Y3 (X = O, S and Y = Li, Na, K ) clusters as excess electron compounds for remarkable static and dynamic NLO response
Publication date: Available online 16 April 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Atazaz Ahsin, Khurshid Ayub (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - April 17, 2021 Category: Molecular Biology Source Type: research