Recent Developments in 3D QSAR and Molecular Docking Studies of Organic and Nanostructures

por Rasulev, Bakhtiyor
Publicado 2016

Modeling the Dispersibility of Single Walled Carbon Nanotubes in Organic Solvents by Quantitative Structure-Activity Relationship Approach

por Yilmaz, Hayriye, Rasulev, Bakhtiyor, Leszczynski, Jerzy
Publicado 2015

QSPR Modeling of the Refractive Index for Diverse Polymers Using 2D Descriptors

por Khan, Pathan Mohsin, Rasulev, Bakhtiyor, Roy, Kunal
Publicado 2018

A Refractive Index Study of a Diverse Set of Polymeric Materials by QSPR with Quantum-Chemical and Additive Descriptors

por Erickson, Meade E., Ngongang, Marvellous, Rasulev, Bakhtiyor
Publicado 2020

A Comprehensive Cheminformatics Analysis of Structural Features Affecting the Binding Activity of Fullerene Derivatives

por Fjodorova, Natalja, Novič, Marjana, Venko, Katja, Rasulev, Bakhtiyor
Publicado 2020

Preparation and Characterization of Inclusion Complexes of β-Cyclodextrin and Phenolics from Wheat Bran by Combination of Experimental and Computational Techniques

por Simsek, Tuba, Rasulev, Bakhtiyor, Mayer, Christian, Simsek, Senay
Publicado 2020

Extraordinarily Adaptive Properties of the Genetically Encoded Amino Acids

por Ilardo, Melissa, Meringer, Markus, Freeland, Stephen, Rasulev, Bakhtiyor, Cleaves II, H. James
Publicado 2015

Structural Features Promoting Photocatalytic Degradation of Contaminants of Emerging Concern: Insights into Degradation Mechanism Employing QSA/PR Modeling

por Tomic, Antonija, Kovacic, Marin, Kusic, Hrvoje, Karamanis, Panaghiotis, Rasulev, Bakhtiyor, Loncaric Bozic, Ana
Publicado 2023

The Hydrolysis Rate of Paraoxonase-1 Q and R Isoenzymes: An In Silico Study Based on In Vitro Data

por Karabulut, Sedat, Mansour, Basel, Casanola-Martin, Gerardo M., Rasulev, Bakhtiyor, Gauld, James W.
Publicado 2022

In Silico Prediction of the Toxicity of Nitroaromatic Compounds: Application of Ensemble Learning QSAR Approach

por Daghighi, Amirreza, Casanola-Martin, Gerardo M., Timmerman, Troy, Milenković, Dejan, Lučić, Bono, Rasulev, Bakhtiyor
Publicado 2022

Amino substituted nitrogen heterocycle ureas as kinase insert domain containing receptor (KDR) inhibitors: Performance of structure–activity relationship approaches

por Yilmaz, Hayriye, Sizochenko, Natalia, Rasulev, Bakhtiyor, Toropov, Andrey, Guzel, Yahya, Kuz’min, Viktor, Leszczynska, Danuta, Leszczynski, Jerzy
Publicado 2015

Machine Learning Study of Metabolic Networks vs ChEMBL Data of Antibacterial Compounds

por Diéguez-Santana, Karel, Casañola-Martin, Gerardo M., Torres, Roldan, Rasulev, Bakhtiyor, Green, James R., González-Díaz, Humbert
Publicado 2022

Advantages and limitations of classic and 3D QSAR approaches in nano-QSAR studies based on biological activity of fullerene derivatives

por Jagiello, Karolina, Grzonkowska, Monika, Swirog, Marta, Ahmed, Lucky, Rasulev, Bakhtiyor, Avramopoulos, Aggelos, Papadopoulos, Manthos G., Leszczynski, Jerzy, Puzyn, Tomasz
Publicado 2016

Synthesis, Tautomeric States and Crystal Structure of (Z)-Ethyl 2- Cyano-2-(3H-Quinazoline-4-ylidene) Acetate and (Z)-Ethyl 2-Cyano-2- (2-Methyl-3H-Quinazoline-4-ylidene) Acetate

por Tulyasheva, Muborak, Rasulev, Bakhtiyor F., Tojiboev, Akmal G., Turgunov, Kambarali K., Tashkhodjaev, Bakhodir, Abdullaev, Nasrulla D., Shakhidoyatov, Khusnutdin M.
Publicado 2005

Cheminformatics and Machine Learning Approaches to Assess Aquatic Toxicity Profiles of Fullerene Derivatives

por Fjodorova, Natalja, Novič, Marjana, Venko, Katja, Rasulev, Bakhtiyor, Türker Saçan, Melek, Tugcu, Gulcin, Sağ Erdem, Safiye, Toropova, Alla P., Toropov, Andrey A.
Publicado 2023

Adaptive Properties of the Genetically Encoded Amino Acid Alphabet Are Inherited from Its Subsets

por Ilardo, Melissa, Bose, Rudrarup, Meringer, Markus, Rasulev, Bakhtiyor, Grefenstette, Natalie, Stephenson, James, Freeland, Stephen, Gillams, Richard J., Butch, Christopher J., Cleaves, H. James
Publicado 2019

Experimental and Simulation Studies on Nonwoven Polypropylene–Nitrile Rubber Blend: Recycling of Medical Face Masks to an Engineering Product

por Varghese P. J, George, David, Deepthi Anna, Karuth, Anas, Manamkeri Jafferali, Jabeen Fatima, P. M, Sabura Begum, George, Jinu Jacob, Rasulev, Bakhtiyor, Raghavan, Prasanth
Publicado 2022

How fullerene derivatives (FDs) act on therapeutically important targets associated with diabetic diseases

por Fjodorova, Natalja, Novič, Marjana, Venko, Katja, Drgan, Viktor, Rasulev, Bakhtiyor, Türker Saçan, Melek, Sağ Erdem, Safiye, Tugcu, Gulcin, Toropova, Alla P., Toropov, Andrey A.
Publicado 2022

Carbon Nanotubes’ Effect on Mitochondrial Oxygen Flux Dynamics: Polarography Experimental Study and Machine Learning Models using Star Graph Trace Invariants of Raman Spectra

por González-Durruthy, Michael, Monserrat, Jose M., Rasulev, Bakhtiyor, Casañola-Martín, Gerardo M., Barreiro Sorrivas, José María, Paraíso-Medina, Sergio, Maojo, Víctor, González-Díaz, Humberto, Pazos, Alejandro, Munteanu, Cristian R.
Publicado 2017

Development of Activity Rules and Chemical Fragment Design for In Silico Discovery of AChE and BACE1 Dual Inhibitors against Alzheimer’s Disease

por Bao, Le-Quang, Baecker, Daniel, Mai Dung, Do Thi, Phuong Nhung, Nguyen, Thi Thuan, Nguyen, Nguyen, Phuong Linh, Phuong Dung, Phan Thi, Huong, Tran Thi Lan, Rasulev, Bakhtiyor, Casanola-Martin, Gerardo M., Nam, Nguyen-Hai, Pham-The, Hai
Publicado 2023