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Journal of Molecular Modeling|November 30, 2019
HBGA binding modes and selectivity in noroviruses upon mutation: a docking and molecular dynamics studyAbdulkadir KocakJournal of Molecular Graphics & Modelling|November 26, 2021
Molecular dynamics simulations reveal the plausible agonism/antagonism mechanism by steroids on androgen receptor mutationsAbdulkadir Kocak, Muslum YildizJournal of Molecular Graphics & Modelling|March 29, 2017
Docking, molecular dynamics and free energy studies on aspartoacylase mutations involved in Canavan diseaseAbdulkadir Kocak, Muslum YildizJournal of Computational Biology : a Journal of Computational Molecular Cell Biology|December 21, 2018
Molecular Dynamics Studies of Histo-Blood Group Antigen Blocking Human Immunoglobulin A Antibody and Escape Mechanism in Noroviruses Upon MutationMuslum Yildiz, Abdulkadir KocakJournal of Computational Chemistry|November 3, 2022
The performance of ANI-ML potentials for ligand-n(H2 O) interaction energies and estimation of hydration free energies from end-point MD simulationsMütesir Temel, Omer Tayfuroglu, Abdulkadir KocakLangmuir : the ACS Journal of Surfaces and Colloids|December 20, 2019
In Silico Investigation into H2 Uptake in MOFs: Combined Text/Data Mining and Structural CalculationsOmer Tayfuroglu, Abdulkadir Kocak, Yunus ZorluLangmuir : the ACS Journal of Surfaces and Colloids|March 14, 2025
Modeling Gas Adsorption and Mechanistic Insights into Flexibility in Isoreticular Metal-Organic Frameworks Using High-Dimensional Neural Network PotentialsOmer Tayfuroglu, Abdulkadir Kocak, Yunus ZorluPhysical Chemistry Chemical Physics : PCCP|May 5, 2022
A neural network potential for the IRMOF series and its application for thermal and mechanical behaviorsOmer Tayfuroglu, Abdulkadir Kocak, Yunus ZorluJournal of Biomolecular Structure & Dynamics|August 21, 2023
Exploring potential Plasmodium kinase inhibitors: a combined docking, MD and QSAR studiesSèlonou Gautier Kankinou, Muslum Yildiz, Abdulkadir KocakJournal of Chemical Information and Modeling|August 16, 2022
Accurate Binding Free Energy Method from End-State MD SimulationsEbru Akkus, Omer Tayfuroglu, Muslum Yildiz, et al.Pageof 3