vojtech spiwok (9 risultati)

Hardcover. Condizione: Good. 1st Edition. Oversized hardcover, xv + 352 pages, NOT ex-library. Shipping weight over 1kg. Great interior, clean and bright throughout with unmarked text, free of inscriptions and stamps, firmly bound. An external 'mängelexemplar' stamp on the upper outer page edges. Torn & glued tips of the lower outer corners of the boards. Issued without a dust jacket. -- A guide to modern computational tools used to design and refine drug candidates, it focuses on how molecular simulations can complement or even replace traditional laboratory assays to produce faster, more accurate results in drug design. Core Themes and Structure: The book is organized into three distinct parts that transition from theoretical foundations to practical real-world use: Part I: Principles: Introduces the fundamental tools used in biomolecular simulation, describing common methodologies for modeling drugs and their targets while analyzing the accuracy of these predictions. Part II: Advanced Algorithms: Explores specialized techniques like enhanced sampling, which helps researchers observe rare molecular events, and Markov State Models to understand the long-term dynamics of protein-ligand binding. Part III: Applications and Success Stories: Presents case studies where these computational methods were successfully applied in real-life drug discovery projects. Key Scientific Focus: - Dynamics over Rigidity [moving beyond viewing proteins as static structures, the text emphasizes protein flexibility and how understanding its movement is crucial for designing potent compounds against dynamic drug targets like RAS proteins]; - Integration with Data [a major focus is on how to integrate computational modeling with other experimental data, such as X-ray and NMR findings, to refine molecular structures]; - Accuracy of Force Fields [the authors provide a detailed discussion on the strengths and limitations of molecular mechanics (MM) force fields, which are the mathematical models used to calculate the energy of molecular systems. The work is specifically written for medicinal chemists, structural biologists, and pharmaceutical industry professionals. It is designed to be accessible to students and newcomers while providing the in-depth methodological detail required by experienced researchers.

Condizione: Brand New. New. US edition. Expediting shipping for all USA and Europe orders excluding PO Box. Excellent Customer Service.

Condizione: New. This is a Brand-new US Edition. This Item may be shipped from US or any other country as we have multiple locations worldwide.

Condizione: New. Brand New Original US Edition. Customer service! Satisfaction Guaranteed.

Condizione: New.

Condizione: New.

Condizione: New.

Hardcover. Condizione: New. New. book.

Condizione: New. Brand New! Fast Delivery This is an International Edition and ship within 24-48 hours. Deliver by FedEx and Dhl, & Aramex, UPS, & USPS and we do accept APO and PO BOX Addresses. Order can be delivered worldwide within 7-12 days and we do have flat rate for up to 2LB. Extra shipping charges will be requested if the Book weight is more than 5 LB. This Item May be shipped from India, United states & United Kingdom. Depending on your location and availability.