Schedule Detail

CADD 2018 SCHEDULE
Monday, 26 November 2018 (Fave Hotel Kuta Kartika Plaza)
16.00 – 19:00 Registration (For Invited Speaker)
19.00 – 20.30 Dinner (For Invited Speaker)
20.30 – 21.45 Pre-CADD Workshop Meeting (Facilitators)
21.45 – 00.00 End-of Day
Tuesday, 27 November 2018 (Workshop at Udayana University)
08.30 – 09.00 Registration
09.00 – 09.10 Introduction (Dr. Sandra Megantara)
09.10 – 10.00 Lecture 1: Structure Based Design (Habibah A Wahab)
10.00 – 11.00 Lecture 2: Force Field (Ken Merz)
11.00 – 12.00 Lecture 3 : MD (Chris Chipot)
12.00 – 13.30 Lunch Break
Lecture Pararell Sesion
13.30 – 14.30 Molecular Docking (Shirley Siu) Principle of MD (Chris Chipot)
Hands-on Pararel Session
14.30 – 15.30 Molecular Docking (Siti Azma and Team) Setting Up, Equilibration & Production (M. Yusuf and Team)
15.30 – 15.45 Break
15.45 – 18.00 Molecular Docking (Siti Azma and Team) Setting Up, Equilibration & Production (M. Yusuf and Team)
Wednesday, 28 November 2018 (Seminar at Fave Hotel Kuta Kartika Plaza)
08.30 – 09.00 Registration
09.00 – 09.30 Opening Remark (Opening Speech, Cultural Dance)
09.30 – 10.10 Prof. Kenneth Merz: Applying Simulations and Machine Learning to Biological Problems
10.10 – 10.30 Break
10.30 – 11.10 Prof. Chris Chipot: The Dangerous Liaisons between Detergents and Membrane Proteins
11.10 – 11.40 Assoc. Prof. Gelgel Wirasuta:  In silico Simulation of Antiatherosclerosis Pharmacological Effect of Andrographolide
11.40 – 12.10 Prof. Richard Bryce: Computational tools for drug design: modelling biomolecular conformation using molecular dynamics simulations)
12.10 – 12.40 Prof. Muchtaridi:  Proof of Concept in Prediction of Solubility and Stability of Alpha Mangostin from G. mangostana Complex with Beta Cyclodextrin and Hydroxyl-B-Cyclodextrin for Drug Delivery
12.40 – 14.00 Lunch Break and Poster Session
14.00 – 14.30 Dr. Arry Yanuar: Application of Deep Learning and Fingerprint Modeling Methods to Predict Cannabinoid and Cathinone Derivatives
14.30 – 15.00 Norio Yoshida Ph.D: Multiscale modeling of solvated molecule based on the statistical mechanics integral equation theory and its application
Paralel Session
15.00 – 17.00 Oral Presentation Oral Presentation
OP 001 OP 009
OP 002 OP 010
OP 004 OP 011
OP 005 OP 012
OP 007 OP 013
OP 008 OP 014
Thursday, 29 November 2018 (Seminar at Fave Hotel Kuta Kartika Plaza)
08.30 – 09.00 Registration
09.00 – 09.40 Prof. Fumio Hirata: On the interpretation of the temperature dependence of the mean square displacement (MSD) of protein, obtained from the incoherent neutron scattering
09.40 – 10.10 Prof. Seiji Mori: Bridges Between Experiment And Theory On Catalytic Functions
10.10 – 10.30 Break
10.30 – 11.00 Dr. Shirley Siu:  Swarm Intelligence Approach to Protein-Ligand Docking
11.00 – 11.30 Dr Kholis Abdurachim Audah:Evaluation of mangroves as a model to develop extract library : reshaping the trends in drug discovery
11.30 – 12.00 Dr. Marco de vivo: Molecular modeling and simulations to investigate metalloenzymes and accelerate small-molecule drug discovery
12.00 – 12.30 Dr. Maywan Hariono :  Matrix metalloproteinase 9 (MMP9) inhibitors from synthetic and natural product : in silico and in vitro studies
12.30 – 13.00 Assoc. Prof. Dr. rer.nat Sophi Damayanti: Toxicity and Interaction Study of Several Natural Compounds for Antiviral and Antibacterial Activity
13.00 – 14.30 Lunch Break
Paralel Session
14.30 – 15.15 Oral Presentation
OP 015                                            OP 019
OP 016                                            OP 020
OP 017                                            OP 021
OP 018                                            OP 022
15.15 – 15.30 Tea Break
15.30 – 16.00 Dr. Zoe cournia: Insights into the mechanism of the PIK3CA E545K activating mutation using MD simulations
Closing & Vote of Thanks