Autumn Semester 2020 takes place in a mixed form of online and classroom teaching.
Please read the published information on the individual courses carefully.

535-0022-00L  Computer-Assisted Drug Design

SemesterAutumn Semester 2017
LecturersG. Schneider
Periodicityyearly recurring course
Language of instructionEnglish



Catalogue data

AbstractThe lecture series provides an introduction to computer applications in medicinal chemistry. A focus is on molecular representations, property predictions, molecular similarity concepts, virtual screening techniques, and de novo drug design. All theoretical concepts and algorithms presented are illustrated by practical applications and case studies
ObjectiveThe students will learn how computer simulation generates ideas for drug design and development, understand the theoretical principles of property prediction and computer-generated compound generation, and understand possibilities and limitations of computer-assisted drug design in pharmaceutical chemistry. As a result, they are prepared for professional assessment of computer-assisted drug design studies in medicinal chemistry projects.
LiteratureRecommended textbooks:
1) G. Schneider, K.-H. Baringhaus (2008) "Molecular Design - Concepts and Applications", Wiley-VCH: Weinheim, New York.
2) H.-D. Höltje, W. Sippl, D. Rognan, G. Folkers (2008) "Molecular Modeling: Basic Principles and Applications", Wiley-VCH: Weinheim, New York.
3) G. Klebe (2009) "Wirkstoffdesign", Spektrum Akademischer Verlag: Heidelberg.
Prerequisites / NoticeSuccessful participation in this course is required for a research project ("Forschungspraktikum") in the CADD group.

Performance assessment

Performance assessment information (valid until the course unit is held again)
Performance assessment as a semester course
ECTS credits1 credit
ExaminersG. Schneider
Typegraded semester performance
Language of examinationEnglish
RepetitionRepetition possible without re-enrolling for the course unit.
Additional information on mode of examinationWritten examination.

Learning materials

No public learning materials available.
Only public learning materials are listed.

Courses

NumberTitleHoursLecturers
535-0022-00 VComputer-Assisted Drug Design1 hrs
Tue/117-19HCI J 4 »
G. Schneider

Groups

No information on groups available.

Restrictions

There are no additional restrictions for the registration.

Offered in

ProgrammeSectionType
Medicinal and Industrial Pharmaceutical Sciences MasterCompensatory CoursesWInformation
Pharmaceutical Sciences MasterElectives IWInformation
Pharmaceutical Sciences BachelorCompensatory CoursesWInformation
Pharmacy MasterElectivesWInformation