24СʱÈÈÃÅ°æ¿éÅÅÐаñ    

²é¿´: 11147  |  »Ø¸´: 194
¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û158´Î£¬×÷Õß°®ÔÚ2570Ôö¼Ó½ð±Ò 127.2 ¸ö
±¾Ìû²úÉú 1 ¸ö Ä£ÄâEPI £¬µã»÷ÕâÀï½øÐв鿴

°®ÔÚ2570

гæ (СÓÐÃûÆø)


[×ÊÔ´] Molecular modelling:principles and applications¡£PDF°æÏÂÔØ

·ÑºÃ´ó¾¢ÕÒµ½µÄ£¬Èç¹ûÊÇ×ö¼ÆËãÄ£Ä⣬·Ö×Ó¶¯Á¦Ñ§Ä£ÄâµÄ£¬Ê×ÍƵÄÒ»±¾Ê飬·Ç³£¾­µäµÄÄ£ÄâͼÊ飬¶ÔÔ­Àí½éÉܵÃÌرðÇå³þ£¬ÌرðÊʺÏÆÚÍû¶ÔÄ£ÄâÀíÂÛÈ«ÃæÁ˽âµÄ¶ÁÕß¡£
×÷¡¡¡¡Õߣº A.R.Leach¡¡Öø
³ö °æ É磺 ÊÀ½çͼÊé³ö°æ¹«Ë¾
ÓïÑÔ£ºÓ¢Óï
³ö°æʱ¼ä£º 2003-6-1
×Ö¡¡¡¡Êý£º
°æ¡¡¡¡´Î£º 1
Ò³¡¡¡¡Êý£º 744
ӡˢʱ¼ä£º 2003-6-1
¿ª¡¡¡¡±¾£º
Ó¡¡¡¡¡´Î£º
Ö½¡¡¡¡ÕÅ£º ½º°æÖ½
I S B N £º 9787506259361
°ü¡¡¡¡×°£º ƽװ
¶¨¼Û£º98
This important new edition is for graduate students studying Molecular Modelling, Computational Chemistry within Chemistry, Medicinal Chemistry and Biochemistry. Postgraduates and researchers in academia and in the chemical and pharmaceutical industries. This new edition introduces background theory and techniques of molecular modelling, also illustrates applications in studying physical, chemical and biological phenomena. It includes simple numerical examples and numerous explanatory figures and a colour plate section.
Ŀ¼
Preface to the Second Edition
Preface to the First Edition
Symbols and Physical Constants
Acknowledgements
1 Useful Concepts in Molecular Modelling
2 An Introduction to Computational Quantum Mechanics
3 Advanced ab initio Methods, Density Functional Theory and Solid-state Quantum Mechanics
4 Empirical Force Field Models: Molecular Mechanics
5 Energy Minimisation and Related Methods for Exploring the Energy Surface
6 Computer Simulation Methods
7 Molecular Dynamics Simulation Methods
8 Monte Carlo Simulation Methods
9 Conformational Analysis
10 Protein Structure Prediction,Sequence Analysis and Protein Folding
11 Four Challenges in Molecular Modelling Free Energies,Solvation,Reactions and Solid-state Defects
12 The Use of Molecular Modeling and Chemoinformatics to Discover and Design New Molecules
Index
»Ø¸´´ËÂ¥

» ±¾Ìû¸½¼þ×ÊÔ´Áбí

  • »¶Ó­¼à¶½ºÍ·´À¡£ºÐ¡Ä¾³æ½öÌṩ½»Á÷ƽ̨£¬²»¶Ô¸ÃÄÚÈݸºÔð¡£
    ±¾ÄÚÈÝÓÉÓû§×ÔÖ÷·¢²¼£¬Èç¹ûÆäÄÚÈÝÉæ¼°µ½ÖªÊ¶²úȨÎÊÌ⣬ÆäÔðÈÎÔÚÓÚÓû§±¾ÈË£¬Èç¶Ô°æȨÓÐÒìÒ飬ÇëÁªÏµÓÊÏ䣺xiaomuchong@tal.com
  • ¸½¼þ 1 : muchong.comMolecular_modelling_Principles_and_applications(Sencond_Editon)-Andrew_R.Leach.pdf
  • 2016-12-07 09:35:58, 48.83 M

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

Êé¼®ÏÂÔØÍøÕ¾ רҵÊé¼®£¨ÍâÎİ棩WM ÎïÀí»¯Ñ§²ÄÁÏÀàÊé¼® רҵÊé¼®¡¾Ö±½ÓÏÂÔØ¡¿
»úеÁ¦»¯Ñ§ Á£×ÓÓîÖæÉúÃü Îﻯ»·Éú±Ø±¸¡¾PDF¡¿ ×ÊÔ´
·Ö×ÓÄ£Äâ ÍÄÁ÷ȼÉÕ ÊÕ¼¯ Сľ³æÈëÃÅ
baotian1 lammps Ä£Äâ

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍƼö: (ÎÒÒ²ÒªÔÚÕâÀïÍƹã)

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jielness

½ð³æ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍƼö

ºÜÓаïÖú
6Â¥2016-12-09 12:41:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ustc

½ð³æ (ÖøÃûдÊÖ)


10Â¥2016-12-09 23:18:26
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

·û?ª

гæ (³õÈëÎÄ̳)


¡ï Ò»ÐǼ¶,Ò»°ã

ÒýÓûØÌû:
1Â¥: Originally posted by °®ÔÚ2570 at 2016-12-07 09:36:31
·ÑºÃ´ó¾¢ÕÒµ½µÄ£¬Èç¹ûÊÇ×ö¼ÆËãÄ£Ä⣬·Ö×Ó¶¯Á¦Ñ§Ä£ÄâµÄ£¬Ê×ÍƵÄÒ»±¾Ê飬·Ç³£¾­µäµÄÄ£ÄâͼÊ飬¶ÔÔ­Àí½éÉܵÃÌرðÇå³þ£¬ÌرðÊʺÏÆÚÍû¶ÔÄ£ÄâÀíÂÛÈ«ÃæÁ˽âµÄ¶ÁÕß¡£
×÷¡¡¡¡Õߣº A.R.Leach¡¡Öø
³ö °æ É磺 ÊÀ½çͼÊé³ö°æ¹« ...

¶¥Ò»Ï£¬ÔÞÒ»¸ö

·¢×ÔСľ³æAndroid¿Í»§¶Ë
32Â¥2016-12-13 23:38:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wuLL

Òø³æ (СÓÐÃûÆø)


36Â¥2016-12-15 12:07:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
abinitio2Â¥
2016-12-07 09:45   »Ø¸´  
ÈýÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2016-12-07 14:19   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
xmc1411184Â¥
2016-12-07 15:06   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
hazys5Â¥
2016-12-07 19:03   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2016-12-09 20:01   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
MS_Z8Â¥
2016-12-09 21:57   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
RubikLee9Â¥
2016-12-09 23:06   »Ø¸´  
wildfire203811Â¥
2016-12-09 23:26   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wangy090712Â¥
2016-12-10 00:47   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
l8778713Â¥
2016-12-10 04:04   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
everie14Â¥
2016-12-10 04:10   »Ø¸´  
ÎåÐǺÃÆÀ  
happyfishs15Â¥
2016-12-10 07:20   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
muxinjin16Â¥
2016-12-10 09:49   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
zhoulili17Â¥
2016-12-10 11:45   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
lxw20218Â¥
2016-12-10 11:52   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
marchfeng19Â¥
2016-12-10 12:09   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
xianlaoshi20Â¥
2016-12-10 15:19   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
–LÌì¶ù21Â¥
2016-12-10 15:34   »Ø¸´  
ÎåÐǺÃÆÀ  
biosensors22Â¥
2016-12-10 17:33   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
1314168apple23Â¥
2016-12-10 20:04   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
jinpengfei24Â¥
2016-12-11 16:53   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
daweizhou25Â¥
2016-12-12 07:46   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2016-12-13 11:19   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
zyzing27Â¥
2016-12-13 12:52   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2016-12-13 13:16   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wangwenju29Â¥
2016-12-13 16:00   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
yuanbing30Â¥
2016-12-13 21:36   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wangpinger31Â¥
2016-12-13 21:58   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
34868356933Â¥
2016-12-14 20:41   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
byqkitty34Â¥
2016-12-14 22:53   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
xgf_635Â¥
2016-12-15 11:52   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
zyc12365437Â¥
2016-12-15 14:07   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Danny_Ren38Â¥
2016-12-19 21:42   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
beenoera39Â¥
2016-12-20 10:03   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2016-12-20 10:45   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
123456mxq41Â¥
2016-12-20 16:02   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2016-12-20 18:53   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
½¹½¹12343Â¥
2016-12-24 12:22   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ÖªÒô44Â¥
2016-12-24 13:08   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
keda45Â¥
2016-12-28 13:05   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
quan199146Â¥
2017-01-03 22:18   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
yzheng2947Â¥
2017-01-06 11:30   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ycitnuaaxsw48Â¥
2017-01-21 16:24   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ÖªÒô49Â¥
2017-01-26 08:49   »Ø¸´  
ÈýÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
1521610534650Â¥
2017-02-03 09:29   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Ïà¹Ø°æ¿éÌøת ÎÒÒª¶©ÔÄÂ¥Ö÷ °®ÔÚ2570 µÄÖ÷Ìâ¸üÐÂ
¡î ÎÞÐǼ¶ ¡ï Ò»ÐǼ¶ ¡ï¡ï¡ï ÈýÐǼ¶ ¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶
×î¾ßÈËÆøÈÈÌûÍƼö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[ÂÛÎÄͶ¸å] Ͷ¸å·µÐÞÖУ¬Ôö¼ÓÁË×÷Õߣ¬ÂÛÎı»¾ÜÁË£¬»¹Óа취²¹¾ÈÂ +14 mollyzhang_2003 2024-11-22 28/1400 2024-11-24 23:49 by ShengQ_135
[¿¼²©] ¶Á²©ÇóÖú 10+3 ½ª´óÅÖÏÉÅ® 2024-11-18 6/300 2024-11-24 23:13 by yudaoqian88
[ÂÛÎÄͶ¸å] ´ó¼Ò¿´Ò»¿´£¬Õâ¸ö±à¼­ÊDz»ÊÇÓÐЩ¶ñÐÄÈË£¿ +4 nandi2212 2024-11-24 6/300 2024-11-24 21:12 by ashlfy
[½Ìʦ֮¼Ò] ΪÈË´¦ÊÀ +4 Ë®±ùÔÂÔÂÒ°Íà 2024-11-21 4/200 2024-11-24 21:07 by digua88
[²©ºóÖ®¼Ò] 76Åú²©ºóÃæÉÏÖб꣬СÂú¹á£¡ (½ð±Ò+5) +18 UnUnc_Wang 2024-11-19 18/900 2024-11-24 20:55 by wangqian9816370
[ÂÛÎÄͶ¸å] °®Ë¼Î¨¶û³ö°æÉ磬ÂÛÎÄonlineÁË£¬ +3 babybabygo 2024-11-23 6/300 2024-11-24 18:46 by babybabygo
[½Ìʦ֮¼Ò] 55ËêÅ®¸±½ÌÊÚ£¬²©Ê¿£¬¸ÃÍËÐÝ»¹ÊDz»ÍË£¿ +20 aizheteng 2024-11-22 20/1000 2024-11-24 15:31 by huzhk_2008
[˶²©¼ÒÔ°] Ô¤´ð±ç±»ºÝÅú +13 ºÇºÇorc 2024-11-21 13/650 2024-11-24 13:40 by ÎÞÊÓ¾üÍÅ
[¿¼²©] ¶Á²© +10 ɺÑþÍÛ 2024-11-21 10/500 2024-11-24 13:26 by Õâ¹Ï±£Êì°¡
[½Ìʦ֮¼Ò] ÂÛË®¿¯µÄ¼ÛÖµ +3 jurkat.1640 2024-11-22 3/150 2024-11-24 12:47 by zuocuiping
[ÂÛÎÄͶ¸å] »úÆ÷ѧϰ½»²æÄÜÔ´ÁìÓòÂÛÎÄͶ¸å·½Ïò +4 qin111 2024-11-24 5/250 2024-11-24 12:34 by g9522
[˶²©¼ÒÔ°] ¸ã¿ÆÑÐÊDz»ÊǺܶÍÁ¶ÉíÌ壿¸ßѪѹ£¬Í´·çÊÇС²¡ +5 akslis2024 2024-11-23 9/450 2024-11-24 11:10 by nieshuyan1
[»ù½ðÉêÇë] Çë½Ì´ó¼ÒÒ»¸öÎÊÌâ +5 Ըÿһ¸öÈ˶¼Æ½° 2024-11-22 6/300 2024-11-24 10:07 by kudofaye
[¿¼²©] Çó¸ö²©µ¼°ÑÎÒÀÌ×ߣ¬Ò»ÆªJMCA£¬ÁíÓÐһƪAFM¹²Ò» +5 ÆïÂܲ·µöÓã 2024-11-21 7/350 2024-11-23 21:03 by Zixiao_Wang
[˶²©¼ÒÔ°] ²©Ê¿±ÏÒµºó½«´óÂÛÎIJð·Ö³ÉСÂÛÎÄ·¢±íÊÇ·ñÊôÓÚѧÊõ²»¶Ë +12 1362825417 2024-11-21 17/850 2024-11-23 14:29 by ca0yan9
[¿¼²©] ÕÐÉêÇ뿼ºË²©Ê¿Ñо¿Éú +4 zhangqi1012 2024-11-22 4/200 2024-11-22 22:24 by ÇóÉÏ°¶µÄ
[Óлú½»Á÷] ʵÑéÊÒ¼õѹÕôÁó¶þ¼×±½ 20+4 lijiajun09 2024-11-19 8/400 2024-11-21 22:50 by s66230911
[ÂÛÎÄͶ¸å] ACS CatalysisͶ¸åÎÊÌâÇóÖú½â´ð 10+5 ¸ðÍúöÎ 2024-11-18 5/250 2024-11-21 14:43 by TopEdit
[ÂÛÎÄͶ¸å] under review 50+7 Ðdz½2022 2024-11-19 13/650 2024-11-21 14:39 by TopEdit
[½Ìʦ֮¼Ò] ·ÇÉý¼´×ß +10 ÀÔÆ 2024-11-18 10/500 2024-11-20 08:49 by Quakerbird
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û